4-(3-methoxy-3-oxidanylidene-2-phenyl-1-sulfonyl-propoxy)-2-oxidanyl-benzoic acid

Systemtic Name: 4-(3-methoxy-3-oxidanylidene-2-phenyl-1-sulfonyl-propoxy)-2-oxidanyl-benzoic acid Openeye Name: 2-hydroxy-4-(3-methoxy-3-oxo-2-phenyl-1-sulfonyl-propoxy)benzoic acid CAS Name: 2-hydroxy-4-(3-methoxy-3-oxo-2-phenyl-1-sulfonylpropoxy)benzoic acid IUPAC Name: 2-hydroxy-4-(3-methoxy-3-oxo-2-phenyl-1-sulfonylpropoxy)benzoic acid Traditional Name: 2-hydroxy-4-(3-keto-3-methoxy-2-phenyl-1-sulfonyl-propoxy)benzoic acid Formula: C17H14O8S MolecularWeight: 378.35326

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1=CC=CC=C1)C(=S(=O)=O)OC2=CC(=C(C=C2)C(=O)O)O

Isomeric SMILES

COC(=O)C(C1=CC=CC=C1)C(=S(=O)=O)OC2=CC(=C(C=C2)C(=O)O)O

InChI

InChI=1S/C17H14O8S/c1-24-16(21)14(10-5-3-2-4-6-10)17(26(22)23)25-11-7-8-12(15(19)20)13(18)9-11/h2-9,14,18H,1H3,(H,19,20)