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

Systemtic Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Openeye Name: [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate CAS Name: 4-nonoxybenzoic acid [1-(1-methoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-methoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Traditional Name: 4-nonoxybenzoic acid [1-(1-methoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C31H40O4 MolecularWeight: 476.6469

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OC

Isomeric SMILES

CCCCCCCCCOC1=CC=C(C=C1)C(=O)OC2(C=CC(C=C2)C3=CC=CC=C3)C(C)OC

InChI

InChI=1S/C31H40O4/c1-4-5-6-7-8-9-13-24-34-29-18-16-28(17-19-29)30(32)35-31(25(2)33-3)22-20-27(21-23-31)26-14-11-10-12-15-26/h10-12,14-23,25,27H,4-9,13,24H2,1-3H3