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: VAKNIMMGZHVRGQ (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
7681832

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H31N3O4/c1-5-22(6-2)11-7-10-21-20(25)15-12-19(24)23(14-15)17-13-16(26-3)8-9-18(17)27-4/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,21,25)/t15-/m1/s1
C20H31N3O4377.47782100
7681848

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H31N3O4/c1-5-22(6-2)11-7-10-21-20(25)15-12-19(24)23(14-15)17-13-16(26-3)8-9-18(17)27-4/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,21,25)/t15-/m0/s1
C20H31N3O4377.47782100
112220464

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H31N3O4/c1-5-22(6-2)11-7-10-21-20(25)15-12-19(24)23(14-15)17-13-16(26-3)8-9-18(17)27-4/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,21,25)
C20H31N3O4377.47781100
7681847

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H31N3O4/c1-5-22(6-2)11-7-10-21-20(25)15-12-19(24)23(14-15)17-13-16(26-3)8-9-18(17)27-4/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,21,25)/p+1/t15-/m0/s1
C20H32N3O4378.48521100
7681831

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H31N3O4/c1-5-22(6-2)11-7-10-21-20(25)15-12-19(24)23(14-15)17-13-16(26-3)8-9-18(17)27-4/h8-9,13,15H,5-7,10-12,14H2,1-4H3,(H,21,25)/p+1/t15-/m1/s1
C20H32N3O4378.48521100

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