6-chloranylhexyl 3,4-dimethoxybenzoate

Systemtic Name: 6-chloranylhexyl 3,4-dimethoxybenzoate Openeye Name: 6-chlorohexyl 3,4-dimethoxybenzoate CAS Name: 3,4-dimethoxybenzoic acid 6-chlorohexyl ester IUPAC Name: 6-chlorohexyl 3,4-dimethoxybenzoate Traditional Name: 3,4-dimethoxybenzoic acid 6-chlorohexyl ester Formula: C15H21ClO4 MolecularWeight: 300.77784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21ClO4/c1-18-13-8-7-12(11-14(13)19-2)15(17)20-10-6-4-3-5-9-16/h7-8,11H,3-6,9-10H2,1-2H3