4-chloranylbutyl 3,4-dimethoxybenzoate

Systemtic Name: 4-chloranylbutyl 3,4-dimethoxybenzoate Openeye Name: 4-chlorobutyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 4-chlorobutyl ester IUPAC Name: 4-chlorobutyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 4-chlorobutyl ester Formula: C13H17ClO4 MolecularWeight: 272.72468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCCCCCl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCCCCCl)OC

InChI

InChI=1S/C13H17ClO4/c1-16-11-6-5-10(9-12(11)17-2)13(15)18-8-4-3-7-14/h5-6,9H,3-4,7-8H2,1-2H3