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 5 results

Search term: DZINNPYMYFDDHL (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
382599

0 of 7 defined stereocentres - 0/7 defined
InChI=1/C33H40N2O11/c1-13(2)9-18(34)32(42)35-19-10-22(45-14(3)27(19)37)46-21-12-33(43,15(4)36)11-17-24(21)31(41)26-25(29(17)39)28(38)16-7-6-8-20(44-5)23(16)30(26)40/h6-8,13-14,18-19,21-22,27,37,39,41,43H,9-12,34H2,1-5H3,(H,35,42)
C33H40N2O11640.67755500
141804

7 of 7 defined stereocentres - 7/7 defined
InChI=1/C33H40N2O11/c1-13(2)9-18(34)32(42)35-19-10-22(45-14(3)27(19)37)46-21-12-33(43,15(4)36)11-17-24(21)31(41)26-25(29(17)39)28(38)16-7-6-8-20(44-5)23(16)30(26)40/h6-8,13-14,18-19,21-22,27,37,39,41,43H,9-12,34H2,1-5H3,(H,35,42)/t14-,18+,19-,21-,22-,27+,33-/m0/s1
C33H40N2O11640.67754400
90815

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C33H40N2O11/c1-13(2)9-18(34)32(42)35-19-10-22(45-14(3)27(19)37)46-21-12-33(43,15(4)36)11-17-24(21)31(41)26-25(29(17)39)28(38)16-7-6-8-20(44-5)23(16)30(26)40/h6-8,13-14,18-19,21-22,27,37,39,41,43H,9-12,34H2,1-5H3,(H,35,42)/t14-,18-,19-,21-,22-,27?,33-/m0/s1
C33H40N2O11640.67753300
9939422

6 of 7 defined stereocentres - 6/7 defined
InChI=1/C33H40N2O11/c1-13(2)9-18(34)32(42)35-19-10-22(45-14(3)27(19)37)46-21-12-33(43,15(4)36)11-17-24(21)31(41)26-25(29(17)39)28(38)16-7-6-8-20(44-5)23(16)30(26)40/h6-8,13-14,18-19,21-22,27,37,39,41,43H,9-12,34H2,1-5H3,(H,35,42)/t14-,18?,19-,21-,22-,27+,33-/m0/s1
C33H40N2O11640.67752100
23115580

2 of 7 defined stereocentres - 2/7 defined
InChI=1/C33H40N2O11/c1-13(2)9-18(34)32(42)35-19-10-22(45-14(3)27(19)37)46-21-12-33(43,15(4)36)11-17-24(21)31(41)26-25(29(17)39)28(38)16-7-6-8-20(44-5)23(16)30(26)40/h6-8,13-14,18-19,21-22,27,37,39,41,43H,9-12,34H2,1-5H3,(H,35,42)/t14?,18?,19?,21-,22?,27?,33-/m0/s1
C33H40N2O11640.67752200

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