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

Systemtic Name: 3-methyl-5-[(3-methyl-4-oxidanyl-5-sulfo-phenyl)methyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-5-[(4-hydroxy-3-methyl-5-sulfo-phenyl)methyl]-3-methyl-benzenesulfonic acid CAS Name: 2-hydroxy-5-[(4-hydroxy-3-methyl-5-sulfophenyl)methyl]-3-methylbenzenesulfonic acid IUPAC Name: 2-hydroxy-5-[(4-hydroxy-3-methyl-5-sulfophenyl)methyl]-3-methylbenzenesulfonic acid Traditional Name: 2-hydroxy-5-(4-hydroxy-3-methyl-5-sulfo-benzyl)-3-methyl-besylic acid Formula: C15H16O8S2 MolecularWeight: 388.41274

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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