6-methylheptan-2-yl 4-octoxybenzoate

Systemtic Name: 6-methylheptan-2-yl 4-octoxybenzoate Openeye Name: 1,5-dimethylhexyl 4-octoxybenzoate CAS Name: 4-octoxybenzoic acid 6-methylheptan-2-yl ester IUPAC Name: 6-methylheptan-2-yl 4-octoxybenzoate Traditional Name: 4-octoxybenzoic acid 1,5-dimethylhexyl ester Formula: C23H38O3 MolecularWeight: 362.54602

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC(C)CCCC(C)C

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C(=O)OC(C)CCCC(C)C

InChI

InChI=1S/C23H38O3/c1-5-6-7-8-9-10-18-25-22-16-14-21(15-17-22)23(24)26-20(4)13-11-12-19(2)3/h14-17,19-20H,5-13,18H2,1-4H3