4-(3-bromanyl-4,5-dimethoxy-phenyl)-6-chloranyl-3-methoxycarbonyl-naphthalene-2-carboxylic acid

Systemtic Name: 4-(3-bromanyl-4,5-dimethoxy-phenyl)-6-chloranyl-3-methoxycarbonyl-naphthalene-2-carboxylic acid Openeye Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-6-chloro-3-methoxycarbonyl-naphthalene-2-carboxylic acid CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6-chloro-3-methoxycarbonyl-2-naphthalenecarboxylic acid IUPAC Name: 4-(3-bromo-4,5-dimethoxyphenyl)-6-chloro-3-methoxycarbonylnaphthalene-2-carboxylic acid Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-3-carbomethoxy-6-chloro-2-naphthoic acid Formula: C21H16BrClO6 MolecularWeight: 479.70514

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2=C3C=C(C=CC3=CC(=C2C(=O)OC)C(=O)O)Cl)Br)OC

Isomeric SMILES

COC1=C(C(=CC(=C1)C2=C3C=C(C=CC3=CC(=C2C(=O)OC)C(=O)O)Cl)Br)OC

InChI

InChI=1S/C21H16BrClO6/c1-27-16-8-11(7-15(22)19(16)28-2)17-13-9-12(23)5-4-10(13)6-14(20(24)25)18(17)21(26)29-3/h4-9H,1-3H3,(H,24,25)