phenyl (E)-3-[[3-[bis(oxidanyl)methyl]phenyl]methoxy]oct-4-enoate

Systemtic Name: phenyl (E)-3-[[3-[bis(oxidanyl)methyl]phenyl]methoxy]oct-4-enoate Openeye Name: phenyl (E)-3-[[3-(dihydroxymethyl)phenyl]methoxy]oct-4-enoate CAS Name: (E)-3-[[3-(dihydroxymethyl)phenyl]methoxy]-4-octenoic acid phenyl ester IUPAC Name: phenyl (E)-3-[[3-(dihydroxymethyl)phenyl]methoxy]oct-4-enoate Traditional Name: (E)-3-[3-(dihydroxymethyl)benzyl]oxyoct-4-enoic acid phenyl ester Formula: C22H26O5 MolecularWeight: 370.43884

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Descriptors Computed from Structure

Canonical SMILES:

CCCC=CC(CC(=O)OC1=CC=CC=C1)OCC2=CC(=CC=C2)C(O)O

Isomeric SMILES

CCC/C=C/C(CC(=O)OC1=CC=CC=C1)OCC2=CC(=CC=C2)C(O)O

InChI

InChI=1S/C22H26O5/c1-2-3-5-13-20(15-21(23)27-19-11-6-4-7-12-19)26-16-17-9-8-10-18(14-17)22(24)25/h4-14,20,22,24-25H,2-3,15-16H2,1H3/b13-5+