7-oxidanylidene-3-(sulfanylmethyl)benzo[a]phenalene-9-sulfonic acid

Systemtic Name: 7-oxidanylidene-3-(sulfanylmethyl)benzo[a]phenalene-9-sulfonic acid Openeye Name: 7-oxo-3-(sulfanylmethyl)benzo[a]phenalene-9-sulfonic acid CAS Name: 3-(mercaptomethyl)-7-oxo-9-benzo[a]phenalenesulfonic acid IUPAC Name: 7-oxo-3-(sulfanylmethyl)benzo[a]phenalene-9-sulfonic acid Traditional Name: 7-keto-3-(mercaptomethyl)benzo[a]phenalene-9-sulfonic acid Formula: C18H12O4S2 MolecularWeight: 356.41548

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)S(=O)(=O)O)CS

Isomeric SMILES

C1=CC2=C(C=CC3=C2C(=C1)C(=O)C4=C3C=CC(=C4)S(=O)(=O)O)CS

InChI

InChI=1S/C18H12O4S2/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)