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: BSBRSVRQAVQZOA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
11968951

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H21N5O3/c1-2-8-25-17(21)14(19(26)22-12-13-6-5-10-28-13)11-15-18(25)23-16-7-3-4-9-24(16)20(15)27/h2-4,7,9,11,13,21H,1,5-6,8,10,12H2,(H,22,26)
C20H21N5O3379.4124231800
2403413

Double-bond stereo

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C20H21N5O3/c1-2-8-25-17(21)14(19(26)22-12-13-6-5-10-28-13)11-15-18(25)23-16-7-3-4-9-24(16)20(15)27/h2-4,7,9,11,13,21H,1,5-6,8,10,12H2,(H,22,26)/b21-17+
C20H21N5O3379.41245300
5335015

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21N5O3/c1-2-8-25-17(21)14(19(26)22-12-13-6-5-10-28-13)11-15-18(25)23-16-7-3-4-9-24(16)20(15)27/h2-4,7,9,11,13,21H,1,5-6,8,10,12H2,(H,22,26)/p+1/t13-/m1/s1
C20H22N5O3380.41982100
5335016

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C20H21N5O3/c1-2-8-25-17(21)14(19(26)22-12-13-6-5-10-28-13)11-15-18(25)23-16-7-3-4-9-24(16)20(15)27/h2-4,7,9,11,13,21H,1,5-6,8,10,12H2,(H,22,26)/p+1/t13-/m0/s1
C20H22N5O3380.41982100

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