sodium 5-(2,4-dimethoxyphenyl)carbonyl-2,4-dimethoxy-benzenesulfonic acid

Systemtic Name: sodium 5-(2,4-dimethoxyphenyl)carbonyl-2,4-dimethoxy-benzenesulfonic acid Openeye Name: sodium 5-(2,4-dimethoxybenzoyl)-2,4-dimethoxy-benzenesulfonic acid CAS Name: sodium 5-[(2,4-dimethoxyphenyl)-oxomethyl]-2,4-dimethoxybenzenesulfonic acid IUPAC Name: sodium 5-(2,4-dimethoxybenzoyl)-2,4-dimethoxybenzenesulfonic acid Traditional Name: sodium 5-(2,4-dimethoxybenzoyl)-2,4-dimethoxy-besylic acid Formula: C17H18NaO8S+ MolecularWeight: 405.37479

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2OC)OC)S(=O)(=O)O)OC.[Na+]

Isomeric SMILES

COC1=CC(=C(C=C1)C(=O)C2=CC(=C(C=C2OC)OC)S(=O)(=O)O)OC.[Na+]

InChI

InChI=1S/C17H18O8S.Na/c1-22-10-5-6-11(13(7-10)23-2)17(18)12-8-16(26(19,20)21)15(25-4)9-14(12)24-3;/h5-9H,1-4H3,(H,19,20,21);/q;+1