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
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Found 5 results

Search term: OXXNTXVXBWLYQE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
85167

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m0/s1
C30H48O3456.7003352923
4932459

0 of 6 defined stereocentres - 0/6 defined
InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3
C30H48O3456.700351100
23089524

2 of 6 defined stereocentres - 2/6 defined
InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24?,25?,26?,27?,28-,30-/m0/s1
C30H48O3456.70034131
58784026

6 of 6 defined stereocentres - 6/6 defined

Non-standard isotope
InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m0/s1/i1D3,3D2,4D2,5D2,6D2,7D2,8D2,9D2,10D2,11D2,12D2
C30H25D23O3479.8421100
110092756

6 of 6 defined stereocentres - 6/6 defined
InChI=1/C30H48O3/c1-3-4-5-6-7-8-9-10-11-12-29(32)33-28-18-17-27-26-15-13-22-21-23(31)14-16-24(22)25(26)19-20-30(27,28)2/h21,24-28H,3-20H2,1-2H3/t24-,25+,26+,27-,28-,30-/m1/s1
C30H48O3456.70031100

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