[1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate

Systemtic Name: [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Openeye Name: [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate CAS Name: 4-pentadecoxybenzoic acid [1-(1-nonoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-nonoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-pentadecoxybenzoate Traditional Name: 4-pentadecoxybenzoic acid [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C45H68O4 MolecularWeight: 673.01902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C45H68O4/c1-4-6-8-10-12-13-14-15-16-17-19-21-26-38-48-43-31-29-42(30-32-43)44(46)49-45(39(3)47-37-25-20-18-11-9-7-5-2)35-33-41(34-36-45)40-27-23-22-24-28-40/h22-24,27-36,39,41H,4-21,25-26,37-38H2,1-3H3