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

Systemtic Name: 3-(3-methyl-9-oxidanylidene-thioxanthen-2-yl)oxypropane-1-sulfonic acid Openeye Name: 3-(3-methyl-9-oxo-thioxanthen-2-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(3-methyl-9-oxo-2-thioxanthenyl)oxy]-1-propanesulfonic acid IUPAC Name: 3-(3-methyl-9-oxothioxanthen-2-yl)oxypropane-1-sulfonic acid Traditional Name: 3-(9-keto-3-methyl-thioxanthen-2-yl)oxypropane-1-sulfonic acid Formula: C17H16O5S2 MolecularWeight: 364.43594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)SC3=CC=CC=C3C2=O)OCCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1)SC3=CC=CC=C3C2=O)OCCCS(=O)(=O)O

InChI

InChI=1S/C17H16O5S2/c1-11-9-16-13(10-14(11)22-7-4-8-24(19,20)21)17(18)12-5-2-3-6-15(12)23-16/h2-3,5-6,9-10H,4,7-8H2,1H3,(H,19,20,21)