sodium 7-oxidanylidene-3-(sulfanylmethyl)benzo[a]phenalene-9-sulfonate

Systemtic Name: sodium 7-oxidanylidene-3-(sulfanylmethyl)benzo[a]phenalene-9-sulfonate Openeye Name: sodium 7-oxo-3-(sulfanylmethyl)benzo[a]phenalene-9-sulfonate CAS Name: sodium 3-(mercaptomethyl)-7-oxo-9-benzo[a]phenalenesulfonate IUPAC Name: sodium 7-oxo-3-(sulfanylmethyl)benzo[a]phenalene-9-sulfonate Traditional Name: sodium 7-keto-3-(mercaptomethyl)benzo[a]phenalene-9-sulfonate Formula: C18H11NaO4S2 MolecularWeight: 378.39731

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)S(=O)(=O)[O-])CS.[Na+]

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)S(=O)(=O)[O-])CS.[Na+]

InChI

InChI=1S/C18H12O4S2.Na/c19-18-15-3-1-2-12-10(9-23)4-6-14(17(12)15)13-7-5-11(8-16(13)18)24(20,21)22;/h1-8,23H,9H2,(H,20,21,22);/q;+1/p-1