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

Systemtic Name: 4-(3-bromanyl-4,5-dimethoxy-phenyl)-3-methoxycarbonyl-6-methyl-naphthalene-2-carboxylic acid Openeye Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-3-methoxycarbonyl-6-methyl-naphthalene-2-carboxylic acid CAS Name: 4-(3-bromo-4,5-dimethoxyphenyl)-3-methoxycarbonyl-6-methyl-2-naphthalenecarboxylic acid IUPAC Name: 4-(3-bromo-4,5-dimethoxyphenyl)-3-methoxycarbonyl-6-methylnaphthalene-2-carboxylic acid Traditional Name: 4-(3-bromo-4,5-dimethoxy-phenyl)-3-carbomethoxy-6-methyl-2-naphthoic acid Formula: C22H19BrO6 MolecularWeight: 459.28666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=C(C=C2C=C1)C(=O)O)C(=O)OC)C3=CC(=C(C(=C3)Br)OC)OC

Isomeric SMILES

CC1=CC2=C(C(=C(C=C2C=C1)C(=O)O)C(=O)OC)C3=CC(=C(C(=C3)Br)OC)OC

InChI

InChI=1S/C22H19BrO6/c1-11-5-6-12-8-15(21(24)25)19(22(26)29-4)18(14(12)7-11)13-9-16(23)20(28-3)17(10-13)27-2/h5-10H,1-4H3,(H,24,25)