disodium 4-methyl-3-oxidanyl-7-sulfonato-naphthalene-2-carboxylate

Systemtic Name: disodium 4-methyl-3-oxidanyl-7-sulfonato-naphthalene-2-carboxylate Openeye Name: disodium 3-hydroxy-4-methyl-7-sulfonato-naphthalene-2-carboxylate CAS Name: disodium 3-hydroxy-4-methyl-7-sulfonato-2-naphthalenecarboxylate IUPAC Name: disodium 3-hydroxy-4-methyl-7-sulfonatonaphthalene-2-carboxylate Traditional Name: disodium 3-hydroxy-4-methyl-7-sulfonato-2-naphthoate Formula: C12H8Na2O6S MolecularWeight: 326.23286

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-].[Na+].[Na+]

Isomeric SMILES

CC1=C2C=CC(=CC2=CC(=C1O)C(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C12H10O6S.2Na/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);;/q;2*+1/p-2