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: HXNCOPXZMVYOSZ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
10049600

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16-/t12-,13-,15+,17-,19+,20+/m1/s1
C20H25NO6375.415610500
20158172

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16+/t12-,13-,15+,17-,19+,20+/m1/s1
C20H25NO6375.415610800
28537071

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16-/t12?,13?,15?,17-,19+,20+/m1/s1
C20H25NO6375.41567200
17464853

Double-bond stereo

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16+/t12?,13?,15?,17-,19?,20+/m1/s1
C20H25NO6375.41564100
10049602

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16-/t12-,13+,15-,17+,19-,20-/m0/s1
C20H25NO6375.41563100
62904623

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/t12-,13-,15+,17-,19+,20+/m1/s1
C20H25NO6375.41563100
10049598

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16-/t12-,13-,15-,17+,19-,20-/m0/s1
C20H25NO6375.41563100
7852630

Double-bond stereo

3 of 6 defined stereocentres - 3/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16+/t12?,13?,15?,17-,19+,20+/m1/s1
C20H25NO6375.41563200
10049596

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16-/t12-,13+,15+,17-,19+,20+/m1/s1
C20H25NO6375.41563100
2964417

Double-bond stereo

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)
C20H25NO6375.41562100
114812570

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/b21-16-/t12-,13+,15-,17-,19+,20+/m1/s1
C20H25NO6375.41561100
10049597

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/p-1/b21-16-/t12-,13-,15-,17+,19-,20-/m0/s1
C20H24NO6374.40821100
10049595

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/p-1/b21-16-/t12-,13+,15+,17-,19+,20+/m1/s1
C20H24NO6374.40821100
10049599

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/p-1/b21-16-/t12-,13-,15+,17-,19+,20+/m1/s1
C20H24NO6374.40821100
10049601

Charge

Double-bond stereo

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C20H25NO6/c1-20-5-4-12-11-3-2-10(22)6-14(11)16(21-27-9-18(24)25)7-13(12)15(20)8-17(23)19(20)26/h2-3,6,12-13,15,17,19,22-23,26H,4-5,7-9H2,1H3,(H,24,25)/p-1/b21-16-/t12-,13+,15-,17+,19-,20-/m0/s1
C20H24NO6374.40821100

Advertisement