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

Systemtic Name: [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Openeye Name: [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate CAS Name: 4-nonoxybenzoic acid [1-(1-hexoxyethyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(1-hexoxyethyl)-4-phenylcyclohexa-2,5-dien-1-yl] 4-nonoxybenzoate Traditional Name: 4-nonoxybenzoic acid [1-(1-hexoxyethyl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C36H50O4 MolecularWeight: 546.7798

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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)OCCCCCC

Isomeric SMILES

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

InChI

InChI=1S/C36H50O4/c1-4-6-8-10-11-12-17-29-39-34-22-20-33(21-23-34)35(37)40-36(30(3)38-28-16-9-7-5-2)26-24-32(25-27-36)31-18-14-13-15-19-31/h13-15,18-27,30,32H,4-12,16-17,28-29H2,1-3H3