4-methyl-3-oxidanyl-7-sulfo-naphthalene-2-carboxylic acid

Systemtic Name: 4-methyl-3-oxidanyl-7-sulfo-naphthalene-2-carboxylic acid Openeye Name: 3-hydroxy-4-methyl-7-sulfo-naphthalene-2-carboxylic acid CAS Name: 3-hydroxy-4-methyl-7-sulfo-2-naphthalenecarboxylic acid IUPAC Name: 3-hydroxy-4-methyl-7-sulfonaphthalene-2-carboxylic acid Traditional Name: 3-hydroxy-4-methyl-7-sulfo-2-naphthoic acid Formula: C12H10O6S MolecularWeight: 282.2692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C=CC(=CC2=CC(=C1O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

CC1=C2C=CC(=CC2=CC(=C1O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C12H10O6S/c1-6-9-3-2-8(19(16,17)18)4-7(9)5-10(11(6)13)12(14)15/h2-5,13H,1H3,(H,14,15)(H,16,17,18)