sodium 3-(9-oxidanylidenethioxanthen-2-yl)oxypropane-1-sulfonic acid

Systemtic Name: sodium 3-(9-oxidanylidenethioxanthen-2-yl)oxypropane-1-sulfonic acid Openeye Name: sodium 3-(9-oxothioxanthen-2-yl)oxypropane-1-sulfonic acid CAS Name: sodium 3-[(9-oxo-2-thioxanthenyl)oxy]-1-propanesulfonic acid IUPAC Name: sodium 3-(9-oxothioxanthen-2-yl)oxypropane-1-sulfonic acid Traditional Name: sodium 3-(9-ketothioxanthen-2-yl)oxypropane-1-sulfonic acid Formula: C16H14NaO5S2+ MolecularWeight: 373.39913

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)OCCCS(=O)(=O)O.[Na+]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)OCCCS(=O)(=O)O.[Na+]

InChI

InChI=1S/C16H14O5S2.Na/c17-16-12-4-1-2-5-14(12)22-15-7-6-11(10-13(15)16)21-8-3-9-23(18,19)20;/h1-2,4-7,10H,3,8-9H2,(H,18,19,20);/q;+1