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: KAYODKQGOPMBKS (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7851280

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C24H24N6O7S3/c1-29-6-5-15(12-3-2-4-14(12)29)38-8-11-9-39-22-18(21(34)30(22)19(11)23(35)36)27-20(33)17(28-37-7-16(31)32)13-10-40-24(25)26-13/h5-6,10,18,22H,2-4,7-9H2,1H3,(H4-,25,26,27,31,32,33,35,36)/b28-17+/t18-,22-/m1/s1
C24H24N6O7S3604.67844400
7851281

Charge

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C24H24N6O7S3/c1-29-6-5-15(12-3-2-4-14(12)29)38-8-11-9-39-22-18(21(34)30(22)19(11)23(35)36)27-20(33)17(28-37-7-16(31)32)13-10-40-24(25)26-13/h5-6,10,18,22H,2-4,7-9H2,1H3,(H4-,25,26,27,31,32,33,35,36)/p+1/b28-17+/t18-,22-/m1/s1
C24H25N6O7S3605.68582200
64884720

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C24H24N6O7S3/c1-29-6-5-15(12-3-2-4-14(12)29)38-8-11-9-39-22-18(21(34)30(22)19(11)23(35)36)27-20(33)17(28-37-7-16(31)32)13-10-40-24(25)26-13/h5-6,10,18,22H,2-4,7-9H2,1H3,(H4-,25,26,27,31,32,33,35,36)/b28-17+
C24H24N6O7S3604.67841100
115296984

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C24H24N6O7S3/c1-29-6-5-15(12-3-2-4-14(12)29)38-8-11-9-39-22-18(21(34)30(22)19(11)23(35)36)27-20(33)17(28-37-7-16(31)32)13-10-40-24(25)26-13/h5-6,10,18,22H,2-4,7-9H2,1H3,(H4-,25,26,27,31,32,33,35,36)
C24H24N6O7S3604.67841100

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