(1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate

Systemtic Name: (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Openeye Name: (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate CAS Name: 4-(1-nonoxyethyl)benzoic acid (1-hexoxy-4-phenyl-1-cyclohexa-2,5-dienyl) ester IUPAC Name: (1-hexoxy-4-phenylcyclohexa-2,5-dien-1-yl) 4-(1-nonoxyethyl)benzoate Traditional Name: 4-(1-nonoxyethyl)benzoic acid (1-hexoxy-4-phenyl-cyclohexa-2,5-dien-1-yl) ester Formula: C36H50O4 MolecularWeight: 546.7798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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