[2-butyl-3-(phenylcarbonyloxymethyl)heptyl] benzoate

Systemtic Name: [2-butyl-3-(phenylcarbonyloxymethyl)heptyl] benzoate Openeye Name: [3-(benzoyloxymethyl)-2-butyl-heptyl] benzoate CAS Name: benzoic acid [3-(benzoyloxymethyl)-2-butylheptyl] ester IUPAC Name: [3-(benzoyloxymethyl)-2-butylheptyl] benzoate Traditional Name: benzoic acid [3-(benzoyloxymethyl)-2-butyl-heptyl] ester Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(COC(=O)C1=CC=CC=C1)C(CCCC)COC(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCC(COC(=O)C1=CC=CC=C1)C(CCCC)COC(=O)C2=CC=CC=C2

InChI

InChI=1S/C26H34O4/c1-3-5-13-23(19-29-25(27)21-15-9-7-10-16-21)24(14-6-4-2)20-30-26(28)22-17-11-8-12-18-22/h7-12,15-18,23-24H,3-6,13-14,19-20H2,1-2H3