3-ethylheptan-2-yl 3-methylbenzoate

Systemtic Name: 3-ethylheptan-2-yl 3-methylbenzoate Openeye Name: (2-ethyl-1-methyl-hexyl) 3-methylbenzoate CAS Name: 3-methylbenzoic acid 3-ethylheptan-2-yl ester IUPAC Name: 3-ethylheptan-2-yl 3-methylbenzoate Traditional Name: 3-methylbenzoic acid (2-ethyl-1-methyl-hexyl) ester Formula: C17H26O2 MolecularWeight: 262.38714

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H26O2/c1-5-7-10-15(6-2)14(4)19-17(18)16-11-8-9-13(3)12-16/h8-9,11-12,14-15H,5-7,10H2,1-4H3