(2-pentadecan-4-yloxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate

Systemtic Name: (2-pentadecan-4-yloxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Openeye Name: [2-(1-propyldodecoxy)phenyl] 4-[4-(1-hexoxyethyl)phenyl]benzoate CAS Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid (2-pentadecan-4-yloxyphenyl) ester IUPAC Name: (2-pentadecan-4-yloxyphenyl) 4-[4-(1-hexoxyethyl)phenyl]benzoate Traditional Name: 4-[4-(1-hexoxyethyl)phenyl]benzoic acid [2-(1-propyldodecoxy)phenyl] ester Formula: C42H60O4 MolecularWeight: 628.9234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(CCC)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(CCC)OC1=CC=CC=C1OC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(C)OCCCCCC

InChI

InChI=1S/C42H60O4/c1-5-8-10-12-13-14-15-16-17-22-39(21-7-3)45-40-23-18-19-24-41(40)46-42(43)38-31-29-37(30-32-38)36-27-25-35(26-28-36)34(4)44-33-20-11-9-6-2/h18-19,23-32,34,39H,5-17,20-22,33H2,1-4H3