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 13 results

Search term: XKRHRBJLCLXSGE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
9242217

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16-,17-/m1/s1
C21H32O2316.47767600
455551

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3
C21H32O2316.477661600
13178711

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14?,16-,17-/m1/s1
C21H32O2316.47763300
23110485

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16?,17-/m1/s1
C21H32O2316.47762200
23110494

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16?,17+/m0/s1
C21H32O2316.47762200
23138692

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16?,17?/m0/s1
C21H32O2316.47762200
23138712

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16?,17?/m1/s1
C21H32O2316.47762200
23226404

1 of 3 defined stereocentres - 1/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14?,16?,17-/m1/s1
C21H32O2316.47762200
8646456

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16-,17?/m1/s1
C21H32O2316.47762100
115005658

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16+,17+/m0/s1
C21H32O2316.47762200
128935229

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16+,17-/m1/s1
C21H32O2316.47761100
128935232

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16-,17+/m0/s1
C21H32O2316.47761100
26608729

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C21H32O2/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15/h12-14,16-17,22H,5-11H2,1-4H3/t14-,16+,17?/m0/s1
C21H32O2316.47761100

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