sodium 7-oxidanylidene-9-sulfo-benzo[a]phenalene-3-sulfonate

Systemtic Name: sodium 7-oxidanylidene-9-sulfo-benzo[a]phenalene-3-sulfonate Openeye Name: sodium 7-oxo-9-sulfo-benzo[a]phenalene-3-sulfonate CAS Name: sodium 7-oxo-9-sulfo-3-benzo[a]phenalenesulfonate IUPAC Name: sodium 7-oxo-9-sulfobenzo[a]phenalene-3-sulfonate Traditional Name: sodium 7-keto-9-sulfo-benzo[a]phenalene-3-sulfonate Formula: C17H9NaO7S2 MolecularWeight: 412.36893

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)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

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

InChI

InChI=1S/C17H10O7S2.Na/c18-17-13-3-1-2-12-15(26(22,23)24)7-6-11(16(12)13)10-5-4-9(8-14(10)17)25(19,20)21;/h1-8H,(H,19,20,21)(H,22,23,24);/q;+1/p-1