[4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-pentadecoxybenzoate

Systemtic Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-pentadecoxybenzoate Openeye Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-pentadecoxybenzoate CAS Name: 4-pentadecoxybenzoic acid [4-[4-(1-hexoxyethyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(1-hexoxyethyl)phenyl]phenyl] 4-pentadecoxybenzoate Traditional Name: 4-pentadecoxybenzoic acid [4-[4-(1-hexoxyethyl)phenyl]phenyl] ester Formula: C42H60O4 MolecularWeight: 628.9234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCC

InChI

InChI=1S/C42H60O4/c1-4-6-8-10-11-12-13-14-15-16-17-18-20-34-45-40-29-27-39(28-30-40)42(43)46-41-31-25-38(26-32-41)37-23-21-36(22-24-37)35(3)44-33-19-9-7-5-2/h21-32,35H,4-20,33-34H2,1-3H3