4-methyl-5-[(2-methyl-4-oxidanyl-5-sulfonato-phenyl)methyl]-2-oxidanyl-benzenesulfonate

Systemtic Name: 4-methyl-5-[(2-methyl-4-oxidanyl-5-sulfonato-phenyl)methyl]-2-oxidanyl-benzenesulfonate Openeye Name: 2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfonato-phenyl)methyl]-4-methyl-benzenesulfonate CAS Name: 2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfonatophenyl)methyl]-4-methylbenzenesulfonate IUPAC Name: 2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfonatophenyl)methyl]-4-methylbenzenesulfonate Traditional Name: 2-hydroxy-5-(4-hydroxy-2-methyl-5-sulfonato-benzyl)-4-methyl-besylate Formula: C15H14O8S2-2 MolecularWeight: 386.39686

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CC2=CC(=C(C=C2C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O

Isomeric SMILES

CC1=CC(=C(C=C1CC2=CC(=C(C=C2C)O)S(=O)(=O)[O-])S(=O)(=O)[O-])O

InChI

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