2-propylheptyl 4-methylbenzoate

Systemtic Name: 2-propylheptyl 4-methylbenzoate Openeye Name: 2-propylheptyl 4-methylbenzoate CAS Name: 4-methylbenzoic acid 2-propylheptyl ester IUPAC Name: 2-propylheptyl 4-methylbenzoate Traditional Name: 4-methylbenzoic acid 2-propylheptyl ester Formula: C18H28O2 MolecularWeight: 276.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CCC)COC(=O)C1=CC=C(C=C1)C

Isomeric SMILES

CCCCCC(CCC)COC(=O)C1=CC=C(C=C1)C

InChI

InChI=1S/C18H28O2/c1-4-6-7-9-16(8-5-2)14-20-18(19)17-12-10-15(3)11-13-17/h10-13,16H,4-9,14H2,1-3H3