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

Systemtic Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Openeye Name: [1-(1-hexadecoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate CAS Name: 4-nonoxybenzoic acid [1-(1-hexadecoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexadecoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Traditional Name: 4-nonoxybenzoic acid [1-(1-cetyloxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C46H70O4 MolecularWeight: 687.0456

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C46H70O4/c1-4-6-8-10-12-13-14-15-16-17-18-20-21-26-38-48-40(3)46(36-34-42(35-37-46)41-28-24-23-25-29-41)50-45(47)43-30-32-44(33-31-43)49-39-27-22-19-11-9-7-5-2/h23-25,28-37,40,42H,4-22,26-27,38-39H2,1-3H3