[4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-nonoxy-benzoate

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-nonoxy-benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-nonoxy-benzoate CAS Name: 3-chloro-4-nonoxybenzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-nonoxybenzoate Traditional Name: 3-chloro-4-nonoxy-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C35H45ClO4 MolecularWeight: 565.1824

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

Isomeric SMILES

CCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCCC)Cl

InChI

InChI=1S/C35H45ClO4/c1-3-5-7-9-10-12-14-26-39-34-24-19-30(27-33(34)36)35(37)40-32-22-17-29(18-23-32)28-15-20-31(21-16-28)38-25-13-11-8-6-4-2/h15-24,27H,3-14,25-26H2,1-2H3