phenethyl 3-(4-heptoxyphenyl)carbonyloxybenzoate

Systemtic Name: phenethyl 3-(4-heptoxyphenyl)carbonyloxybenzoate Openeye Name: phenethyl 3-(4-heptoxybenzoyl)oxybenzoate CAS Name: 3-[(4-heptoxyphenyl)-oxomethoxy]benzoic acid phenethyl ester IUPAC Name: phenethyl 3-(4-heptoxybenzoyl)oxybenzoate Traditional Name: 3-(4-heptoxybenzoyl)oxybenzoic acid phenethyl ester Formula: C29H32O5 MolecularWeight: 460.56138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C29H32O5/c1-2-3-4-5-9-20-32-26-17-15-24(16-18-26)29(31)34-27-14-10-13-25(22-27)28(30)33-21-19-23-11-7-6-8-12-23/h6-8,10-18,22H,2-5,9,19-21H2,1H3