[1-(1-dodecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate

Systemtic Name: [1-(1-dodecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Openeye Name: [1-(1-dodecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate CAS Name: 4-nonoxybenzoic acid [1-(1-dodecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-dodecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Traditional Name: 4-nonoxybenzoic acid [1-(1-lauryloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C42H62O4 MolecularWeight: 630.93928

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCCCCCCC

InChI

InChI=1S/C42H62O4/c1-4-6-8-10-12-13-14-16-17-22-34-44-36(3)42(32-30-38(31-33-42)37-24-20-19-21-25-37)46-41(43)39-26-28-40(29-27-39)45-35-23-18-15-11-9-7-5-2/h19-21,24-33,36,38H,4-18,22-23,34-35H2,1-3H3