9-oxidanylidene-1-propan-2-yl-thioxanthene-4-sulfonic acid

Systemtic Name: 9-oxidanylidene-1-propan-2-yl-thioxanthene-4-sulfonic acid Openeye Name: 1-isopropyl-9-oxo-thioxanthene-4-sulfonic acid CAS Name: 9-oxo-1-propan-2-yl-4-thioxanthenesulfonic acid IUPAC Name: 9-oxo-1-propan-2-ylthioxanthene-4-sulfonic acid Traditional Name: 1-isopropyl-9-keto-thioxanthene-4-sulfonic acid Formula: C16H14O4S2 MolecularWeight: 334.40996

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C2C(=C(C=C1)S(=O)(=O)O)SC3=CC=CC=C3C2=O

Isomeric SMILES

CC(C)C1=C2C(=C(C=C1)S(=O)(=O)O)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C16H14O4S2/c1-9(2)10-7-8-13(22(18,19)20)16-14(10)15(17)11-5-3-4-6-12(11)21-16/h3-9H,1-2H3,(H,18,19,20)