4-(9-oxidanylidenethioxanthen-2-yl)oxybutane-1-sulfonic acid

Systemtic Name: 4-(9-oxidanylidenethioxanthen-2-yl)oxybutane-1-sulfonic acid Openeye Name: 4-(9-oxothioxanthen-2-yl)oxybutane-1-sulfonic acid CAS Name: 4-[(9-oxo-2-thioxanthenyl)oxy]-1-butanesulfonic acid IUPAC Name: 4-(9-oxothioxanthen-2-yl)oxybutane-1-sulfonic acid Traditional Name: 4-(9-ketothioxanthen-2-yl)oxybutane-1-sulfonic acid Formula: C17H16O5S2 MolecularWeight: 364.43594

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)OCCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)OCCCCS(=O)(=O)O

InChI

InChI=1S/C17H16O5S2/c18-17-13-5-1-2-6-15(13)23-16-8-7-12(11-14(16)17)22-9-3-4-10-24(19,20)21/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21)