phenyl 3-butyl-3-methyl-heptanoate

Systemtic Name: phenyl 3-butyl-3-methyl-heptanoate Openeye Name: phenyl 3-butyl-3-methyl-heptanoate CAS Name: 3-butyl-3-methylheptanoic acid phenyl ester IUPAC Name: phenyl 3-butyl-3-methylheptanoate Traditional Name: 3-butyl-3-methyl-enanthic acid phenyl ester Formula: C18H28O2 MolecularWeight: 276.41372

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CCCC)CC(=O)OC1=CC=CC=C1

Isomeric SMILES

CCCCC(C)(CCCC)CC(=O)OC1=CC=CC=C1

InChI

InChI=1S/C18H28O2/c1-4-6-13-18(3,14-7-5-2)15-17(19)20-16-11-9-8-10-12-16/h8-12H,4-7,13-15H2,1-3H3