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: ZFSPFXJSEHCTTR (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
180115

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H
C19H30ClNO323.900673111133
180113

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H/t19-;/m1./s1
C19H30ClNO323.90067500
180111

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H/t19-;/m0./s1
C19H30ClNO323.90065400
48062033

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H/i7D2,8D2,14D2,15D2;
C19H22D8ClNO331.94993200
107433419

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H/i2D2,5D2,6D2,11D2,12D2,18D;
C19H19D11ClNO334.96841400
115008897

0 of 1 defined stereocentres - 0/1 defined

Non-standard isotope
InChI=1/C19H29NO.ClH/c21-19(17-9-3-1-4-10-17,18-11-5-2-6-12-18)13-16-20-14-7-8-15-20;/h1,3-4,9-10,18,21H,2,5-8,11-16H2;1H/i2D2,5D2,6D2,11D2,12D2;
C19H20D10ClNO333.96221100

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