2-chloranylbutyl 2-methyl-3-nonanoyloxy-6-phenyl-benzoate

Systemtic Name: 2-chloranylbutyl 2-methyl-3-nonanoyloxy-6-phenyl-benzoate Openeye Name: 2-chlorobutyl 2-methyl-3-nonanoyloxy-6-phenyl-benzoate CAS Name: 2-methyl-3-(1-oxononoxy)-6-phenylbenzoic acid 2-chlorobutyl ester IUPAC Name: 2-chlorobutyl 2-methyl-3-nonanoyloxy-6-phenylbenzoate Traditional Name: 2-methyl-3-pelargonyloxy-6-phenyl-benzoic acid 2-chlorobutyl ester Formula: C27H35ClO4 MolecularWeight: 459.0174

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(=O)OC1=C(C(=C(C=C1)C2=CC=CC=C2)C(=O)OCC(CC)Cl)C

Isomeric SMILES

CCCCCCCCC(=O)OC1=C(C(=C(C=C1)C2=CC=CC=C2)C(=O)OCC(CC)Cl)C

InChI

InChI=1S/C27H35ClO4/c1-4-6-7-8-9-13-16-25(29)32-24-18-17-23(21-14-11-10-12-15-21)26(20(24)3)27(30)31-19-22(28)5-2/h10-12,14-15,17-18,22H,4-9,13,16,19H2,1-3H3