1,3-dimethyl-4-sulfo-naphthalene-2,6-dicarboxylic acid

Systemtic Name: 1,3-dimethyl-4-sulfo-naphthalene-2,6-dicarboxylic acid Openeye Name: 1,3-dimethyl-4-sulfo-naphthalene-2,6-dicarboxylic acid CAS Name: 1,3-dimethyl-4-sulfonaphthalene-2,6-dicarboxylic acid IUPAC Name: 1,3-dimethyl-4-sulfonaphthalene-2,6-dicarboxylic acid Traditional Name: 1,3-dimethyl-4-sulfo-naphthalene-2,6-dicarboxylic acid Formula: C14H12O7S MolecularWeight: 324.30588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C2=C1C=CC(=C2)C(=O)O)S(=O)(=O)O)C)C(=O)O

Isomeric SMILES

CC1=C(C(=C(C2=C1C=CC(=C2)C(=O)O)S(=O)(=O)O)C)C(=O)O

InChI

InChI=1S/C14H12O7S/c1-6-9-4-3-8(13(15)16)5-10(9)12(22(19,20)21)7(2)11(6)14(17)18/h3-5H,1-2H3,(H,15,16)(H,17,18)(H,19,20,21)