Matches any text strings used to describe a molecule.
Systematic Name, Synonym, Trade Name, Registry Number, SMILES, InChI or CSID

Systematic names 1,2-dihydroxybenzene
Synonyms AIBN
Trade names Aspirin
Registry numbers 7732-18-5
SMILES O=C(OCC)C
InChl InChI=1/CH4/h1H4
Search Hits Limit:
Single/Multi-component
Isotopically Labeled
Additional Filters

Found 15 results

Search term: XEQLFNPSYWZPOW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
16735712

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1
C21H41N5O12555.57652231234
16735713

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1
C21H41N5O12555.5765111625
65326

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8+,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21+/m0/s1
C21H41N5O12555.57657800
2272043

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9-,10-,11-,12-,13-,14+,15-,16-,17+,18+,20-,21+/m1/s1
C21H41N5O12555.5765399999985400
5142769

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21-/m0/s1
C21H41N5O12555.57654300
10174643

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8-,9+,10+,11+,12-,13+,14?,15+,16+,17+,18+,20+,21-/m0/s1
C21H41N5O12555.57654400
4642526

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14-,15+,16+,17+,18+,20+,21?/m0/s1
C21H41N5O12555.57653100
5036693

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8+,9+,10+,11+,12-,13-,14-,15+,16+,17-,18+,20-,21-/m1/s1
C21H41N5O12555.57653300
8568369

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21?/m0/s1
C21H41N5O12555.57652100
24679384

14 of 15 defined stereocentres - 14/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14+,15+,16+,17+,18-,20+,21-/m0/s1
C21H41N5O12555.57652200
28532811

Charge

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/p+4/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1
C21H45N5O12559.60611100
35523135

Charge

15 of 15 defined stereocentres - 15/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/p+1/t6-,7+,8-,9+,10+,11+,12-,13+,14+,15+,16+,17+,18+,20+,21-/m0/s1
C21H42N5O12556.58391100
21258215

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14u,15+,16+,17+,18+,20+,21-/m0/s1
C21H41N5O12555.57651100
2297843

13 of 15 defined stereocentres - 13/15 defined
InChI=1/C21H41N5O12/c22-2-1-8(28)19(34)26-7-3-6(24)17(37-20-11(25)15(32)13(30)9(4-23)35-20)18(12(7)29)38-21-16(33)14(31)10(5-27)36-21/h6-18,20-21,27-33H,1-5,22-25H2,(H,26,34)/t6-,7+,8?,9+,10+,11+,12-,13+,14?,15+,16+,17+,18+,20+,21-/m0/s1
C21H41N5O12555.5765399999981100

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