pentadecan-5-yl 3-methylbenzoate

Systemtic Name: pentadecan-5-yl 3-methylbenzoate Openeye Name: 1-butylundecyl 3-methylbenzoate CAS Name: 3-methylbenzoic acid pentadecan-5-yl ester IUPAC Name: pentadecan-5-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid 1-butylundecyl ester Formula: C23H38O2 MolecularWeight: 346.54662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCCC)OC(=O)C1=CC(=CC=C1)C

Isomeric SMILES

CCCCCCCCCCC(CCCC)OC(=O)C1=CC(=CC=C1)C

InChI

InChI=1S/C23H38O2/c1-4-6-8-9-10-11-12-13-18-22(17-7-5-2)25-23(24)21-16-14-15-20(3)19-21/h14-16,19,22H,4-13,17-18H2,1-3H3