[4-(4-octan-2-yloxyphenyl)phenyl] 4-hex-5-enoxybenzoate

Systemtic Name: [4-(4-octan-2-yloxyphenyl)phenyl] 4-hex-5-enoxybenzoate Openeye Name: [4-[4-(1-methylheptoxy)phenyl]phenyl] 4-hex-5-enoxybenzoate CAS Name: 4-hex-5-enoxybenzoic acid [4-(4-octan-2-yloxyphenyl)phenyl] ester IUPAC Name: [4-(4-octan-2-yloxyphenyl)phenyl] 4-hex-5-enoxybenzoate Traditional Name: 4-hex-5-enoxybenzoic acid [4-[4-(1-methylheptoxy)phenyl]phenyl] ester Formula: C33H40O4 MolecularWeight: 500.6683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCC=C

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)OCCCCC=C

InChI

InChI=1S/C33H40O4/c1-4-6-8-10-12-26(3)36-31-21-13-27(14-22-31)28-15-23-32(24-16-28)37-33(34)29-17-19-30(20-18-29)35-25-11-9-7-5-2/h5,13-24,26H,2,4,6-12,25H2,1,3H3