2-acetyloxybenzoic acid; propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate

Systemtic Name: 2-acetyloxybenzoic acid; propan-2-yl 2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoate Openeye Name: 2-acetoxybenzoic acid; isopropyl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoate CAS Name: 2-acetyloxybenzoic acid; 2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methylpropanoic acid propan-2-yl ester IUPAC Name: 2-acetyloxybenzoic acid; propan-2-yl 2-[4-(4-chlorobenzoyl)phenoxy]-2-methylpropanoate Traditional Name: 2-acetoxybenzoic acid; 2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propionic acid isopropyl ester Formula: C29H29ClO8 MolecularWeight: 540.98876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.CC(=O)OC1=CC=CC=C1C(=O)O

Isomeric SMILES

CC(C)OC(=O)C(C)(C)OC1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)Cl.CC(=O)OC1=CC=CC=C1C(=O)O

InChI

InChI=1S/C20H21ClO4.C9H8O4/c1-13(2)24-19(23)20(3,4)25-17-11-7-15(8-12-17)18(22)14-5-9-16(21)10-6-14;1-6(10)13-8-5-3-2-4-7(8)9(11)12/h5-13H,1-4H3;2-5H,1H3,(H,11,12)