[4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-chloranyl-4-decoxy-benzoate

Systemtic Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-chloranyl-4-decoxy-benzoate Openeye Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-chloro-4-decoxy-benzoate CAS Name: 3-chloro-4-decoxybenzoic acid [4-[2-[2-methylbutoxy(oxo)methyl]phenyl]phenyl] ester IUPAC Name: [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] 3-chloro-4-decoxybenzoate Traditional Name: 3-chloro-4-decoxy-benzoic acid [4-[2-(2-methylbutoxycarbonyl)phenyl]phenyl] ester Formula: C35H43ClO5 MolecularWeight: 579.16592

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)CC)Cl

Isomeric SMILES

CCCCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=CC=CC=C3C(=O)OCC(C)CC)Cl

InChI

InChI=1S/C35H43ClO5/c1-4-6-7-8-9-10-11-14-23-39-33-22-19-28(24-32(33)36)34(37)41-29-20-17-27(18-21-29)30-15-12-13-16-31(30)35(38)40-25-26(3)5-2/h12-13,15-22,24,26H,4-11,14,23,25H2,1-3H3