sodium 7-oxidanylidenebenzo[a]phenalene-8-sulfonate

Systemtic Name: sodium 7-oxidanylidenebenzo[a]phenalene-8-sulfonate Openeye Name: sodium 7-oxobenzo[a]phenalene-8-sulfonate CAS Name: sodium 7-oxo-8-benzo[a]phenalenesulfonate IUPAC Name: sodium 7-oxobenzo[a]phenalene-8-sulfonate Traditional Name: sodium 7-ketobenzo[a]phenalene-8-sulfonate Formula: C17H9NaO4S MolecularWeight: 332.30573

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C3C(=C1)C4=C(C(=CC=C4)S(=O)(=O)[O-])C(=O)C3=CC=C2.[Na+]

Isomeric SMILES

C1=CC2=C3C(=C1)C4=C(C(=CC=C4)S(=O)(=O)[O-])C(=O)C3=CC=C2.[Na+]

InChI

InChI=1S/C17H10O4S.Na/c18-17-13-8-2-5-10-4-1-6-11(15(10)13)12-7-3-9-14(16(12)17)22(19,20)21;/h1-9H,(H,19,20,21);/q;+1/p-1