3-[(5-oxidanylidene-6,9-dihydrothioxanthen-2-yl)oxy]propane-1-sulfonic acid

Systemtic Name: 3-[(5-oxidanylidene-6,9-dihydrothioxanthen-2-yl)oxy]propane-1-sulfonic acid Openeye Name: 3-[(5-oxo-6,9-dihydrothioxanthen-2-yl)oxy]propane-1-sulfonic acid CAS Name: 3-[(5-oxo-6,9-dihydrothioxanthen-2-yl)oxy]-1-propanesulfonic acid IUPAC Name: 3-[(5-oxo-6,9-dihydrothioxanthen-2-yl)oxy]propane-1-sulfonic acid Traditional Name: 3-[(5-keto-6,9-dihydrothioxanthen-2-yl)oxy]propane-1-sulfonic acid Formula: C16H16O5S2 MolecularWeight: 352.42524

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Descriptors Computed from Structure

Canonical SMILES:

C1C=CC2=C(C1=O)SC3=C(C2)C=C(C=C3)OCCCS(=O)(=O)O

Isomeric SMILES

C1C=CC2=C(C1=O)SC3=C(C2)C=C(C=C3)OCCCS(=O)(=O)O

InChI

InChI=1S/C16H16O5S2/c17-14-4-1-3-11-9-12-10-13(5-6-15(12)22-16(11)14)21-7-2-8-23(18,19)20/h1,3,5-6,10H,2,4,7-9H2,(H,18,19,20)