trisodium; methanal; 2-methylphenol; 6-oxidanylnaphthalene-2-sulfonate; sulfite

Systemtic Name: trisodium; methanal; 2-methylphenol; 6-oxidanylnaphthalene-2-sulfonate; sulfite Openeye Name: trisodium; formaldehyde; 6-hydroxynaphthalene-2-sulfonate; o-cresol; sulfite CAS Name: trisodium; formaldehyde; 6-hydroxy-2-naphthalenesulfonate; 2-methylphenol; sulfite IUPAC Name: trisodium; formaldehyde; 6-hydroxynaphthalene-2-sulfonate; 2-methylphenol; sulfite Traditional Name: trisodium; formaldehyde; 6-hydroxynaphthalene-2-sulfonate; o-cresol; sulfite Formula: C18H17Na3O9S2 MolecularWeight: 510.42149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1O.C=O.C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[O-]S(=O)[O-].[Na+].[Na+].[Na+]

Isomeric SMILES

CC1=CC=CC=C1O.C=O.C1=CC2=C(C=CC(=C2)S(=O)(=O)[O-])C=C1O.[O-]S(=O)[O-].[Na+].[Na+].[Na+]

InChI

InChI=1S/C10H8O4S.C7H8O.CH2O.3Na.H2O3S/c11-9-3-1-8-6-10(15(12,13)14)4-2-7(8)5-9;1-6-4-2-3-5-7(6)8;1-2;;;;1-4(2)3/h1-6,11H,(H,12,13,14);2-5,8H,1H3;1H2;;;;(H2,1,2,3)/q;;;3*+1;/p-3