3-(3-chloranyl-9-oxidanylidene-thioxanthen-2-yl)oxypropane-1-sulfonic acid

Systemtic Name: 3-(3-chloranyl-9-oxidanylidene-thioxanthen-2-yl)oxypropane-1-sulfonic acid Openeye Name: 3-(3-chloro-9-oxo-thioxanthen-2-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(3-chloro-9-oxo-2-thioxanthenyl)oxy]-1-propanesulfonic acid IUPAC Name: 3-(3-chloro-9-oxothioxanthen-2-yl)oxypropane-1-sulfonic acid Traditional Name: 3-(3-chloro-9-keto-thioxanthen-2-yl)oxypropane-1-sulfonic acid Formula: C16H13ClO5S2 MolecularWeight: 384.85442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H13ClO5S2/c17-12-9-15-11(8-13(12)22-6-3-7-24(19,20)21)16(18)10-4-1-2-5-14(10)23-15/h1-2,4-5,8-9H,3,6-7H2,(H,19,20,21)