3-(3,4-dimethyl-9-oxidanylidene-thioxanthen-2-yl)oxypropane-1-sulfonic acid

Systemtic Name: 3-(3,4-dimethyl-9-oxidanylidene-thioxanthen-2-yl)oxypropane-1-sulfonic acid Openeye Name: 3-(3,4-dimethyl-9-oxo-thioxanthen-2-yl)oxypropane-1-sulfonic acid CAS Name: 3-[(3,4-dimethyl-9-oxo-2-thioxanthenyl)oxy]-1-propanesulfonic acid IUPAC Name: 3-(3,4-dimethyl-9-oxothioxanthen-2-yl)oxypropane-1-sulfonic acid Traditional Name: 3-(9-keto-3,4-dimethyl-thioxanthen-2-yl)oxypropane-1-sulfonic acid Formula: C18H18O5S2 MolecularWeight: 378.46252

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCCCS(=O)(=O)O

Isomeric SMILES

CC1=C(C=C2C(=C1C)SC3=CC=CC=C3C2=O)OCCCS(=O)(=O)O

InChI

InChI=1S/C18H18O5S2/c1-11-12(2)18-14(10-15(11)23-8-5-9-25(20,21)22)17(19)13-6-3-4-7-16(13)24-18/h3-4,6-7,10H,5,8-9H2,1-2H3,(H,20,21,22)