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 6 results

Search term: UZIIOVNIFSVFIA (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
21514573

2 of 3 defined stereocentres - 2/3 defined
InChI=1/C31H27N3O4/c1-19-9-11-21(12-10-19)28(35)27-26(22-15-24(36-2)29(38-4)25(16-22)37-3)31(17-32,18-33)30-23-8-6-5-7-20(23)13-14-34(27)30/h5-16,26-27,30H,1-4H3/t26-,27+,30?/m0/s1
C31H27N3O4505.56389700
5438510

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H27N3O4/c1-19-9-11-21(12-10-19)28(35)27-26(22-15-24(36-2)29(38-4)25(16-22)37-3)31(17-32,18-33)30-23-8-6-5-7-20(23)13-14-34(27)30/h5-16,26-27,30H,1-4H3/t26-,27+,30-/m0/s1
C31H27N3O4505.56382100
2933373

0 of 3 defined stereocentres - 0/3 defined
InChI=1/C31H27N3O4/c1-19-9-11-21(12-10-19)28(35)27-26(22-15-24(36-2)29(38-4)25(16-22)37-3)31(17-32,18-33)30-23-8-6-5-7-20(23)13-14-34(27)30/h5-16,26-27,30H,1-4H3
C31H27N3O4505.563782100
5438508

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H27N3O4/c1-19-9-11-21(12-10-19)28(35)27-26(22-15-24(36-2)29(38-4)25(16-22)37-3)31(17-32,18-33)30-23-8-6-5-7-20(23)13-14-34(27)30/h5-16,26-27,30H,1-4H3/t26-,27+,30+/m0/s1
C31H27N3O4505.56382100
5438509

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H27N3O4/c1-19-9-11-21(12-10-19)28(35)27-26(22-15-24(36-2)29(38-4)25(16-22)37-3)31(17-32,18-33)30-23-8-6-5-7-20(23)13-14-34(27)30/h5-16,26-27,30H,1-4H3/p+1/t26-,27+,30-/m0/s1
C31H28N3O4506.57121100
5438507

Charge

3 of 3 defined stereocentres - 3/3 defined
InChI=1/C31H27N3O4/c1-19-9-11-21(12-10-19)28(35)27-26(22-15-24(36-2)29(38-4)25(16-22)37-3)31(17-32,18-33)30-23-8-6-5-7-20(23)13-14-34(27)30/h5-16,26-27,30H,1-4H3/p+1/t26-,27+,30+/m0/s1
C31H28N3O4506.57121100

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