sodium 2,2-dimethyl-5-oxidanylidene-4,6-dihydro-3H-benzo[h]chromene-6-sulfonate

Systemtic Name: sodium 2,2-dimethyl-5-oxidanylidene-4,6-dihydro-3H-benzo[h]chromene-6-sulfonate Openeye Name: sodium 2,2-dimethyl-5-oxo-4,6-dihydro-3H-benzo[h]chromene-6-sulfonate CAS Name: sodium 2,2-dimethyl-5-oxo-4,6-dihydro-3H-benzo[h][1]benzopyran-6-sulfonate IUPAC Name: sodium 2,2-dimethyl-5-oxo-4,6-dihydro-3H-benzo[h]chromene-6-sulfonate Traditional Name: sodium 5-keto-2,2-dimethyl-4,6-dihydro-3H-benzo[h]chromene-6-sulfonate Formula: C15H15NaO5S MolecularWeight: 330.33137

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2=C(O1)C3=CC=CC=C3C(C2=O)S(=O)(=O)[O-])C.[Na+]

Isomeric SMILES

CC1(CCC2=C(O1)C3=CC=CC=C3C(C2=O)S(=O)(=O)[O-])C.[Na+]

InChI

InChI=1S/C15H16O5S.Na/c1-15(2)8-7-11-12(16)14(21(17,18)19)10-6-4-3-5-9(10)13(11)20-15;/h3-6,14H,7-8H2,1-2H3,(H,17,18,19);/q;+1/p-1