disodium 4-ethoxy-6-methyl-5-oxidanyl-7-sulfinatooxy-naphthalene-2-sulfonate

Systemtic Name: disodium 4-ethoxy-6-methyl-5-oxidanyl-7-sulfinatooxy-naphthalene-2-sulfonate Openeye Name: disodium 4-ethoxy-5-hydroxy-6-methyl-7-sulfinatooxy-naphthalene-2-sulfonate CAS Name: disodium 4-ethoxy-5-hydroxy-6-methyl-7-sulfinatooxy-2-naphthalenesulfonate IUPAC Name: disodium 4-ethoxy-5-hydroxy-6-methyl-7-sulfinatooxynaphthalene-2-sulfonate Traditional Name: disodium 4-ethoxy-5-hydroxy-6-methyl-7-sulfito-naphthalene-2-sulfonate Formula: C13H12Na2O8S2 MolecularWeight: 406.33912

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC2=CC(=C(C(=C21)O)C)OS(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCOC1=CC(=CC2=CC(=C(C(=C21)O)C)OS(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C13H14O8S2.2Na/c1-3-20-11-6-9(23(17,18)19)4-8-5-10(21-22(15)16)7(2)13(14)12(8)11;;/h4-6,14H,3H2,1-2H3,(H,15,16)(H,17,18,19);;/q;2*+1/p-2