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: IXXCPZGOFVCPCH (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
110827

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2
C21H29NO311.4611302700
1548487

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2/t21-/m0/s1
C21H29NO311.46112100
1548489

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2/t21-/m1/s1
C21H29NO311.46112100
3422051

Charge

0 of 1 defined stereocentres - 0/1 defined
InChI=1/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2/p+1
C21H30NO312.4691100
1548488

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2/p+1/t21-/m1/s1
C21H30NO312.46851100
1548486

Charge

1 of 1 defined stereocentres - 1/1 defined
InChI=1/C21H29NO/c23-21(19-11-4-1-5-12-19,20-13-6-2-7-14-20)15-10-18-22-16-8-3-9-17-22/h1,4-5,11-12,20,23H,2-3,6-9,13-14,16-18H2/p+1/t21-/m0/s1
C21H30NO312.46851100

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