[(4Z)-2-(hydroxymethyl)-4-nonylidene-5-oxidanylidene-oxolan-2-yl]methyl 4-phenylbenzoate

Systemtic Name: [(4Z)-2-(hydroxymethyl)-4-nonylidene-5-oxidanylidene-oxolan-2-yl]methyl 4-phenylbenzoate Openeye Name: [(4Z)-2-(hydroxymethyl)-4-nonylidene-5-oxo-tetrahydrofuran-2-yl]methyl 4-phenylbenzoate CAS Name: 4-phenylbenzoic acid [(4Z)-2-(hydroxymethyl)-4-nonylidene-5-oxo-2-oxolanyl]methyl ester IUPAC Name: [(4Z)-2-(hydroxymethyl)-4-nonylidene-5-oxooxolan-2-yl]methyl 4-phenylbenzoate Traditional Name: 4-phenylbenzoic acid [(4Z)-5-keto-2-methylol-4-nonylidene-tetrahydrofuran-2-yl]methyl ester Formula: C28H34O5 MolecularWeight: 450.56656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=C1CC(OC1=O)(CO)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCCCCC/C=C\1/CC(OC1=O)(CO)COC(=O)C2=CC=C(C=C2)C3=CC=CC=C3

InChI

InChI=1S/C28H34O5/c1-2-3-4-5-6-7-9-14-25-19-28(20-29,33-27(25)31)21-32-26(30)24-17-15-23(16-18-24)22-12-10-8-11-13-22/h8,10-18,29H,2-7,9,19-21H2,1H3/b25-14-