1,1-bis(oxidanylidene)-4-(4-phenoxyphenyl)sulfonyl-thiane-4-carboxylic acid

Systemtic Name: 1,1-bis(oxidanylidene)-4-(4-phenoxyphenyl)sulfonyl-thiane-4-carboxylic acid Openeye Name: 1,1-dioxo-4-(4-phenoxyphenyl)sulfonyl-thiane-4-carboxylic acid CAS Name: 1,1-dioxo-4-(4-phenoxyphenyl)sulfonyl-4-thianecarboxylic acid IUPAC Name: 1,1-dioxo-4-(4-phenoxyphenyl)sulfonylthiane-4-carboxylic acid Traditional Name: 1,1-diketo-4-(4-phenoxyphenyl)sulfonyl-thiane-4-carboxylic acid Formula: C18H18O7S2 MolecularWeight: 410.46132

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1CS(=O)(=O)CCC1(C(=O)O)S(=O)(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C18H18O7S2/c19-17(20)18(10-12-26(21,22)13-11-18)27(23,24)16-8-6-15(7-9-16)25-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,19,20)