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 4 results

Search term: WFAFUVZCQSGTDE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
17468653

1 of 2 defined stereocentres - 1/2 defined
InChI=1/C31H39N3O5/c1-6-15-39-25-13-12-21(17-26(25)37-5)23-18-34-27(35)19-33(14-9-16-38-20(2)3)30(36)31(34,4)29-28(23)22-10-7-8-11-24(22)32-29/h7-8,10-13,17,20,23,32H,6,9,14-16,18-19H2,1-5H3/t23?,31-/m0/s1
C31H39N3O5533.658511800
62296595

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H39N3O5/c1-6-15-39-25-13-12-21(17-26(25)37-5)23-18-34-27(35)19-33(14-9-16-38-20(2)3)30(36)31(34,4)29-28(23)22-10-7-8-11-24(22)32-29/h7-8,10-13,17,20,23,32H,6,9,14-16,18-19H2,1-5H3/t23-,31-/m0/s1
C31H39N3O5533.65852200
62465371

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H39N3O5/c1-6-15-39-25-13-12-21(17-26(25)37-5)23-18-34-27(35)19-33(14-9-16-38-20(2)3)30(36)31(34,4)29-28(23)22-10-7-8-11-24(22)32-29/h7-8,10-13,17,20,23,32H,6,9,14-16,18-19H2,1-5H3/t23-,31+/m1/s1
C31H39N3O5533.65852200
4022607

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H39N3O5/c1-6-15-39-25-13-12-21(17-26(25)37-5)23-18-34-27(35)19-33(14-9-16-38-20(2)3)30(36)31(34,4)29-28(23)22-10-7-8-11-24(22)32-29/h7-8,10-13,17,20,23,32H,6,9,14-16,18-19H2,1-5H3
C31H39N3O5533.6584599999992100

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