sodium 3-butyl-2-methanoyl-naphthalene-1-sulfonate

Systemtic Name: sodium 3-butyl-2-methanoyl-naphthalene-1-sulfonate Openeye Name: sodium 3-butyl-2-formyl-naphthalene-1-sulfonate CAS Name: sodium 3-butyl-2-formyl-1-naphthalenesulfonate IUPAC Name: sodium 3-butyl-2-formylnaphthalene-1-sulfonate Traditional Name: sodium 3-butyl-2-formyl-naphthalene-1-sulfonate Formula: C15H15NaO4S MolecularWeight: 314.33197

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC2=CC=CC=C2C(=C1C=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCC1=CC2=CC=CC=C2C(=C1C=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C15H16O4S.Na/c1-2-3-6-12-9-11-7-4-5-8-13(11)15(14(12)10-16)20(17,18)19;/h4-5,7-10H,2-3,6H2,1H3,(H,17,18,19);/q;+1/p-1