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: QZMMICCPVJYJJW (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
5289146

Charge

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H30N6O4S/c1-14(18(30)12-25-24)26-22(32)16(11-15-7-3-2-4-8-15)27-20(31)10-6-5-9-19-21-17(13-34-19)28-23(33)29-21/h2-4,7-8,12,14,16-17,19,21H,5-6,9-11,13H2,1H3,(H4-,26,27,28,29,30,31,32,33)/p+1/b18-12-/t14-,16-,17+,19+,21+/m1/s1
C23H31N6O4S487.595042200
9515673

Charge

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C23H30N6O4S/c1-14(18(30)12-25-24)26-22(32)16(11-15-7-3-2-4-8-15)27-20(31)10-6-5-9-19-21-17(13-34-19)28-23(33)29-21/h2-4,7-8,12,14,16-17,19,21H,5-6,9-11,13H2,1H3,(H4-,26,27,28,29,30,31,32,33)/p+1/b18-12-/t14?,16?,17?,19-,21?/m0/s1
C23H31N6O4S487.59452100
4588220

Double-bond stereo

5 of 5 defined stereocentres - 5/5 defined
InChI=1/C23H30N6O4S/c1-14(18(30)12-25-24)26-22(32)16(11-15-7-3-2-4-8-15)27-20(31)10-6-5-9-19-21-17(13-34-19)28-23(33)29-21/h2-4,7-8,12,14,16-17,19,21H,5-6,9-11,13H2,1H3,(H4-,26,27,28,29,30,31,32,33)/b18-12-/t14-,16-,17+,19+,21+/m1/s1
C23H30N6O4S486.58711100
9515672

Double-bond stereo

1 of 5 defined stereocentres - 1/5 defined
InChI=1/C23H30N6O4S/c1-14(18(30)12-25-24)26-22(32)16(11-15-7-3-2-4-8-15)27-20(31)10-6-5-9-19-21-17(13-34-19)28-23(33)29-21/h2-4,7-8,12,14,16-17,19,21H,5-6,9-11,13H2,1H3,(H4-,26,27,28,29,30,31,32,33)/b18-12-/t14?,16?,17?,19-,21?/m0/s1
C23H30N6O4S486.58711100

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