octyl (3-pentanoyl-4-phenyl-phenyl) carbonate

Systemtic Name: octyl (3-pentanoyl-4-phenyl-phenyl) carbonate Openeye Name: octyl (3-pentanoyl-4-phenyl-phenyl) carbonate CAS Name: carbonic acid octyl [3-(1-oxopentyl)-4-phenylphenyl] ester IUPAC Name: octyl (3-pentanoyl-4-phenylphenyl) carbonate Traditional Name: carbonic acid octyl (4-phenyl-3-valeryl-phenyl) ester Formula: C26H34O4 MolecularWeight: 410.54576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34O4/c1-3-5-7-8-9-13-19-29-26(28)30-22-17-18-23(21-14-11-10-12-15-21)24(20-22)25(27)16-6-4-2/h10-12,14-15,17-18,20H,3-9,13,16,19H2,1-2H3