(2-hexan-3-ylphenyl) 4-[4-(1-pentadecoxyethyl)phenyl]benzoate

Systemtic Name: (2-hexan-3-ylphenyl) 4-[4-(1-pentadecoxyethyl)phenyl]benzoate Openeye Name: [2-(1-ethylbutyl)phenyl] 4-[4-(1-pentadecoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-pentadecoxyethyl)phenyl]benzoic acid (2-hexan-3-ylphenyl) ester IUPAC Name: (2-hexan-3-ylphenyl) 4-[4-(1-pentadecoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-pentadecoxyethyl)phenyl]benzoic acid [2-(1-ethylbutyl)phenyl] ester Formula: C42H60O3 MolecularWeight: 612.924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CC)CCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3C(CC)CCC

InChI

InChI=1S/C42H60O3/c1-5-8-9-10-11-12-13-14-15-16-17-18-21-33-44-34(4)36-25-27-37(28-26-36)38-29-31-39(32-30-38)42(43)45-41-24-20-19-23-40(41)35(7-3)22-6-2/h19-20,23-32,34-35H,5-18,21-22,33H2,1-4H3