(2-dodecan-4-yloxyphenyl) 4-[4-(1-nonoxyethyl)phenyl]benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(CCC)CCCCCCCC

Isomeric SMILES

CCCCCCCCCOC(C)C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)OC3=CC=CC=C3OC(CCC)CCCCCCCC

InChI

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