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 4 results

Search term: BBZPABARXLGGGW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7852700

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C24H27N7O10S2/c1-24(2,22(38)39)41-28-15(12-9-43-23(25)26-12)18(34)27-16-19(35)31-17(21(36)37)10(8-42-20(16)31)5-29(3)6-11-4-13(32)14(33)7-30(11)40/h4,7,9,16,20,33,40H,5-6,8H2,1-3H3,(H2,25,26)(H,27,34)(H,36,37)(H,38,39)/b28-15+/t16-,20-/m1/s1
C24H27N7O10S2637.64218700
115285108

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C24H27N7O10S2/c1-24(2,22(38)39)41-28-15(12-9-43-23(25)26-12)18(34)27-16-19(35)31-17(21(36)37)10(8-42-20(16)31)5-29(3)6-11-4-13(32)14(33)7-30(11)40/h4,7,9,16,20,33,40H,5-6,8H2,1-3H3,(H2,25,26)(H,27,34)(H,36,37)(H,38,39)/b28-15-/t16-,20-/m1/s1
C24H27N7O10S2637.64212200
129308746

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C24H27N7O10S2/c1-24(2,22(38)39)41-28-15(12-9-43-23(25)26-12)18(34)27-16-19(35)31-17(21(36)37)10(8-42-20(16)31)5-29(3)6-11-4-13(32)14(33)7-30(11)40/h4,7,9,16,20,33,40H,5-6,8H2,1-3H3,(H2,25,26)(H,27,34)(H,36,37)(H,38,39)/t16-,20-/m1/s1
C24H27N7O10S2637.64211100
68025234

Double-bond stereo

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C24H27N7O10S2/c1-24(2,22(38)39)41-28-15(12-9-43-23(25)26-12)18(34)27-16-19(35)31-17(21(36)37)10(8-42-20(16)31)5-29(3)6-11-4-13(32)14(33)7-30(11)40/h4,7,9,16,20,33,40H,5-6,8H2,1-3H3,(H2,25,26)(H,27,34)(H,36,37)(H,38,39)/b28-15+/t16?,20-/m0/s1
C24H27N7O10S2637.64211100

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