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

Systemtic Name: [4-(4-heptoxyphenyl)phenyl] 3-chloranyl-4-pentoxy-benzoate Openeye Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-pentoxy-benzoate CAS Name: 3-chloro-4-pentoxybenzoic acid [4-(4-heptoxyphenyl)phenyl] ester IUPAC Name: [4-(4-heptoxyphenyl)phenyl] 3-chloro-4-pentoxybenzoate Traditional Name: 4-amoxy-3-chloro-benzoic acid [4-(4-heptoxyphenyl)phenyl] ester Formula: C31H37ClO4 MolecularWeight: 509.07608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)Cl

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCC)Cl

InChI

InChI=1S/C31H37ClO4/c1-3-5-7-8-10-21-34-27-16-11-24(12-17-27)25-13-18-28(19-14-25)36-31(33)26-15-20-30(29(32)23-26)35-22-9-6-4-2/h11-20,23H,3-10,21-22H2,1-2H3