3-[(2,4-dimethyl-5-sulfo-phenyl)methyl]-4-methyl-5-[(2-methyl-4-oxidanyl-5-sulfo-phenyl)methyl]-2-oxidanyl-benzenesulfonic acid

Systemtic Name: 3-[(2,4-dimethyl-5-sulfo-phenyl)methyl]-4-methyl-5-[(2-methyl-4-oxidanyl-5-sulfo-phenyl)methyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 3-[(2,4-dimethyl-5-sulfo-phenyl)methyl]-2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfo-phenyl)methyl]-4-methyl-benzenesulfonic acid CAS Name: 3-[(2,4-dimethyl-5-sulfophenyl)methyl]-2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid IUPAC Name: 3-[(2,4-dimethyl-5-sulfophenyl)methyl]-2-hydroxy-5-[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid Traditional Name: 3-(2,4-dimethyl-5-sulfo-benzyl)-2-hydroxy-5-(4-hydroxy-2-methyl-5-sulfo-benzyl)-4-methyl-besylic acid Formula: C24H26O11S3 MolecularWeight: 586.65164

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CC2=C(C(=CC(=C2O)S(=O)(=O)O)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)C)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=C(C=C1CC2=C(C(=CC(=C2O)S(=O)(=O)O)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)C)S(=O)(=O)O)C

InChI

InChI=1S/C24H26O11S3/c1-12-5-14(3)21(36(27,28)29)9-17(12)8-19-15(4)18(11-23(24(19)26)38(33,34)35)7-16-10-22(37(30,31)32)20(25)6-13(16)2/h5-6,9-11,25-26H,7-8H2,1-4H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)