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 3 results

Search term: VXPNPWUFHMIFJE (Found by InChIKey (skeleton match))
IDStructureMolecular FormulaMolecular Weight# of Data Sources# of References# of PubMed# of RSC
8544330

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H39NO5/c1-20(2)7-5-8-21(3)9-6-15-31(4)28(35)18-25-27(34)17-24-26(29(25)37-31)19-32(30(24)36)16-14-22-10-12-23(33)13-11-22/h7,9-13,17,28,33-35H,5-6,8,14-16,18-19H2,1-4H3/b21-9+/t28-,31-/m1/s1
C31H39NO5505.64513200
74160538

Double-bond stereo

2 of 2 defined stereocentres - 2/2 defined
InChI=1/C31H39NO5/c1-20(2)7-5-8-21(3)9-6-15-31(4)28(35)18-25-27(34)17-24-26(29(25)37-31)19-32(30(24)36)16-14-22-10-12-23(33)13-11-22/h7,9-13,17,28,33-35H,5-6,8,14-16,18-19H2,1-4H3/b21-9+/t28-,31-/m0/s1
C31H39NO5505.64511100
123960017

Double-bond stereo

0 of 2 defined stereocentres - 0/2 defined
InChI=1/C31H39NO5/c1-20(2)7-5-8-21(3)9-6-15-31(4)28(35)18-25-27(34)17-24-26(29(25)37-31)19-32(30(24)36)16-14-22-10-12-23(33)13-11-22/h7,9-13,17,28,33-35H,5-6,8,14-16,18-19H2,1-4H3
C31H39NO5505.64511100

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