4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfinylbenzoic acid

Systemtic Name: 4-(1-oxidanyl-1-oxidanylidene-butan-2-yl)sulfinylbenzoic acid Openeye Name: 4-(1-carboxypropylsulfinyl)benzoic acid CAS Name: 4-(1-hydroxy-1-oxobutan-2-yl)sulfinylbenzoic acid IUPAC Name: 4-(1-hydroxy-1-oxobutan-2-yl)sulfinylbenzoic acid Traditional Name: 4-(1-carboxypropylsulfinyl)benzoic acid Formula: C11H12O5S MolecularWeight: 256.27498

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)S(=O)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CCC(C(=O)O)S(=O)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C11H12O5S/c1-2-9(11(14)15)17(16)8-5-3-7(4-6-8)10(12)13/h3-6,9H,2H2,1H3,(H,12,13)(H,14,15)