5-methyl-3-[(5-methyl-2-oxidanyl-3-sulfo-phenyl)methyl]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 5-methyl-3-[(5-methyl-2-oxidanyl-3-sulfo-phenyl)methyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfo-phenyl)methyl]-5-methyl-benzenesulfonic acid CAS Name: 2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic acid IUPAC Name: 2-hydroxy-3-[(2-hydroxy-5-methyl-3-sulfophenyl)methyl]-5-methylbenzenesulfonic acid Traditional Name: 2-hydroxy-3-(2-hydroxy-5-methyl-3-sulfo-benzyl)-5-methyl-besylic acid Formula: C15H16O8S2 MolecularWeight: 388.41274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)S(=O)(=O)O)O)CC2=C(C(=CC(=C2)C)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=C(C(=C1)S(=O)(=O)O)O)CC2=C(C(=CC(=C2)C)S(=O)(=O)O)O

InChI

InChI=1S/C15H16O8S2/c1-8-3-10(14(16)12(5-8)24(18,19)20)7-11-4-9(2)6-13(15(11)17)25(21,22)23/h3-6,16-17H,7H2,1-2H3,(H,18,19,20)(H,21,22,23)