[4-[6-(2-methylbutyl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl] octanoate

Systemtic Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl] octanoate Openeye Name: [4-[2-(2-methylbutyl)tetralin-6-yl]phenyl] octanoate CAS Name: octanoic acid [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl] ester IUPAC Name: [4-[6-(2-methylbutyl)-5,6,7,8-tetrahydronaphthalen-2-yl]phenyl] octanoate Traditional Name: caprylic acid [4-[2-(2-methylbutyl)tetralin-6-yl]phenyl] ester Formula: C29H40O2 MolecularWeight: 420.6267

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC3=C(CC(CC3)CC(C)CC)C=C2

Isomeric SMILES

CCCCCCCC(=O)OC1=CC=C(C=C1)C2=CC3=C(CC(CC3)CC(C)CC)C=C2

InChI

InChI=1S/C29H40O2/c1-4-6-7-8-9-10-29(30)31-28-17-15-24(16-18-28)26-14-13-25-20-23(19-22(3)5-2)11-12-27(25)21-26/h13-18,21-23H,4-12,19-20H2,1-3H3