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 6 results

Search term: ZOALHSBJALBQRP (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11968614

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H30N6O3/c1-19(20-8-3-2-4-9-20)29-26(34)21-18-22-25(30-23-10-5-6-12-32(23)27(22)35)33(24(21)28)13-7-11-31-14-16-36-17-15-31/h2-6,8-10,12,18-19,28H,7,11,13-17H2,1H3,(H,29,34)
C27H30N6O3486.5655252300
2403437

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C27H30N6O3/c1-19(20-8-3-2-4-9-20)29-26(34)21-18-22-25(30-23-10-5-6-12-32(23)27(22)35)33(24(21)28)13-7-11-31-14-16-36-17-15-31/h2-6,8-10,12,18-19,28H,7,11,13-17H2,1H3,(H,29,34)/b28-24+
C27H30N6O3486.56556300
7818258

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H30N6O3/c1-19(20-8-3-2-4-9-20)29-26(34)21-18-22-25(30-23-10-5-6-12-32(23)27(22)35)33(24(21)28)13-7-11-31-14-16-36-17-15-31/h2-6,8-10,12,18-19,28H,7,11,13-17H2,1H3,(H,29,34)/p+1/t19-/m0/s1
C27H31N6O3487.57292100
7818260

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H30N6O3/c1-19(20-8-3-2-4-9-20)29-26(34)21-18-22-25(30-23-10-5-6-12-32(23)27(22)35)33(24(21)28)13-7-11-31-14-16-36-17-15-31/h2-6,8-10,12,18-19,28H,7,11,13-17H2,1H3,(H,29,34)/p+1/t19-/m1/s1
C27H31N6O3487.57292100
7818259

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H30N6O3/c1-19(20-8-3-2-4-9-20)29-26(34)21-18-22-25(30-23-10-5-6-12-32(23)27(22)35)33(24(21)28)13-7-11-31-14-16-36-17-15-31/h2-6,8-10,12,18-19,28H,7,11,13-17H2,1H3,(H,29,34)/p+2/t19-/m1/s1
C27H32N6O3488.58031100
7818257

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C27H30N6O3/c1-19(20-8-3-2-4-9-20)29-26(34)21-18-22-25(30-23-10-5-6-12-32(23)27(22)35)33(24(21)28)13-7-11-31-14-16-36-17-15-31/h2-6,8-10,12,18-19,28H,7,11,13-17H2,1H3,(H,29,34)/p+2/t19-/m0/s1
C27H32N6O3488.58031100

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