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

Systemtic Name: [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butoxybenzoate Openeye Name: [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-butoxybenzoate CAS Name: 4-butoxybenzoic 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-butoxybenzoate Traditional Name: 4-butoxybenzoic acid [1-(1-nonoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C34H46O4 MolecularWeight: 518.72664

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCC

Isomeric SMILES

CCCCCCCCCOC(C)C1(C=CC(C=C1)C2=CC=CC=C2)OC(=O)C3=CC=C(C=C3)OCCCC

InChI

InChI=1S/C34H46O4/c1-4-6-8-9-10-11-15-27-36-28(3)34(24-22-30(23-25-34)29-16-13-12-14-17-29)38-33(35)31-18-20-32(21-19-31)37-26-7-5-2/h12-14,16-25,28,30H,4-11,15,26-27H2,1-3H3