5-(3-carboxy-5-methyl-4-oxidanyl-phenyl)sulfonyl-3-methyl-2-oxidanyl-benzoic acid

Systemtic Name: 5-(3-carboxy-5-methyl-4-oxidanyl-phenyl)sulfonyl-3-methyl-2-oxidanyl-benzoic acid Openeye Name: 5-(3-carboxy-4-hydroxy-5-methyl-phenyl)sulfonyl-2-hydroxy-3-methyl-benzoic acid CAS Name: 5-(3-carboxy-4-hydroxy-5-methylphenyl)sulfonyl-2-hydroxy-3-methylbenzoic acid IUPAC Name: 5-(3-carboxy-4-hydroxy-5-methylphenyl)sulfonyl-2-hydroxy-3-methylbenzoic acid Traditional Name: 5-(3-carboxy-4-hydroxy-5-methyl-phenyl)sulfonyl-2-hydroxy-3-methyl-benzoic acid Formula: C16H14O8S MolecularWeight: 366.34256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)O)O)C)C(=O)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)S(=O)(=O)C2=CC(=C(C(=C2)C(=O)O)O)C)C(=O)O)O

InChI

InChI=1S/C16H14O8S/c1-7-3-9(5-11(13(7)17)15(19)20)25(23,24)10-4-8(2)14(18)12(6-10)16(21)22/h3-6,17-18H,1-2H3,(H,19,20)(H,21,22)