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: JDSMKIZORSYWDD (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
2372251

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H31N3O4S/c1-7-32-21-12-10-9-11-20(21)23(26(32)34)25-27(35)33-24(18-13-15-19(16-14-18)30(4,5)6)22(28(36)37-8-2)17(3)31-29(33)38-25/h9-16,24H,7-8H2,1-6H3/b25-23-
C30H31N3O4S529.649839999999191300
4397411

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H31N3O4S/c1-7-32-21-12-10-9-11-20(21)23(26(32)34)25-27(35)33-24(18-13-15-19(16-14-18)30(4,5)6)22(28(36)37-8-2)17(3)31-29(33)38-25/h9-16,24H,7-8H2,1-6H3
C30H31N3O4S529.6498399999995200
1368515

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H31N3O4S/c1-7-32-21-12-10-9-11-20(21)23(26(32)34)25-27(35)33-24(18-13-15-19(16-14-18)30(4,5)6)22(28(36)37-8-2)17(3)31-29(33)38-25/h9-16,24H,7-8H2,1-6H3/b25-23-/t24-/m1/s1
C30H31N3O4S529.64982100
1368516

Double-bond stereo

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C30H31N3O4S/c1-7-32-21-12-10-9-11-20(21)23(26(32)34)25-27(35)33-24(18-13-15-19(16-14-18)30(4,5)6)22(28(36)37-8-2)17(3)31-29(33)38-25/h9-16,24H,7-8H2,1-6H3/b25-23-/t24-/m0/s1
C30H31N3O4S529.64982100
128946277

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C30H31N3O4S/c1-7-32-21-12-10-9-11-20(21)23(26(32)34)25-27(35)33-24(18-13-15-19(16-14-18)30(4,5)6)22(28(36)37-8-2)17(3)31-29(33)38-25/h9-16,24H,7-8H2,1-6H3/b25-23+
C30H31N3O4S529.64981100

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