2-[1-(9-oxidanylidenethioxanthen-2-yl)oxyethoxy]ethanesulfonic acid

Systemtic Name: 2-[1-(9-oxidanylidenethioxanthen-2-yl)oxyethoxy]ethanesulfonic acid Openeye Name: 2-[1-(9-oxothioxanthen-2-yl)oxyethoxy]ethanesulfonic acid CAS Name: 2-[1-[(9-oxo-2-thioxanthenyl)oxy]ethoxy]ethanesulfonic acid IUPAC Name: 2-[1-(9-oxothioxanthen-2-yl)oxyethoxy]ethanesulfonic acid Traditional Name: 2-[1-(9-ketothioxanthen-2-yl)oxyethoxy]ethanesulfonic acid Formula: C17H16O6S2 MolecularWeight: 380.43534

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Descriptors Computed from Structure

Canonical SMILES:

CC(OCCS(=O)(=O)O)OC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

Isomeric SMILES

CC(OCCS(=O)(=O)O)OC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O

InChI

InChI=1S/C17H16O6S2/c1-11(22-8-9-25(19,20)21)23-12-6-7-16-14(10-12)17(18)13-4-2-3-5-15(13)24-16/h2-7,10-11H,8-9H2,1H3,(H,19,20,21)