3-[3,4-bis(chloranyl)-9-oxidanylidene-thioxanthen-2-yl]oxypropane-1-sulfonic acid

Systemtic Name: 3-[3,4-bis(chloranyl)-9-oxidanylidene-thioxanthen-2-yl]oxypropane-1-sulfonic acid Openeye Name: 3-(3,4-dichloro-9-oxo-thioxanthen-2-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(3,4-dichloro-9-oxo-2-thioxanthenyl)oxy]-1-propanesulfonic acid IUPAC Name: 3-(3,4-dichloro-9-oxothioxanthen-2-yl)oxypropane-1-sulfonic acid Traditional Name: 3-(3,4-dichloro-9-keto-thioxanthen-2-yl)oxypropane-1-sulfonic acid Formula: C16H12Cl2O5S2 MolecularWeight: 419.29948

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3S2)Cl)Cl)OCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=CC(=C(C(=C3S2)Cl)Cl)OCCCS(=O)(=O)O

InChI

InChI=1S/C16H12Cl2O5S2/c17-13-11(23-6-3-7-25(20,21)22)8-10-15(19)9-4-1-2-5-12(9)24-16(10)14(13)18/h1-2,4-5,8H,3,6-7H2,(H,20,21,22)