octan-2-yl 4-methylbenzoate

Systemtic Name: octan-2-yl 4-methylbenzoate Openeye Name: 1-methylheptyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid octan-2-yl ester IUPAC Name: octan-2-yl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 1-methylheptyl ester Formula: C16H24O2 MolecularWeight: 248.36056

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCCC(C)OC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C16H24O2/c1-4-5-6-7-8-14(3)18-16(17)15-11-9-13(2)10-12-15/h9-12,14H,4-8H2,1-3H3