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

Systemtic Name: 4-methyl-3,5-bis[(2-methyl-4-oxidanyl-5-sulfo-phenyl)methyl]-2-oxidanyl-benzenesulfonic acid Openeye Name: 2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfo-phenyl)methyl]-4-methyl-benzenesulfonic acid CAS Name: 2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid IUPAC Name: 2-hydroxy-3,5-bis[(4-hydroxy-2-methyl-5-sulfophenyl)methyl]-4-methylbenzenesulfonic acid Traditional Name: 2-hydroxy-3,5-bis(4-hydroxy-2-methyl-5-sulfo-benzyl)-4-methyl-besylic acid Formula: C23H24O12S3 MolecularWeight: 588.62446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CC2=CC(=C(C(=C2C)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)O

Isomeric SMILES

CC1=CC(=C(C=C1CC2=CC(=C(C(=C2C)CC3=CC(=C(C=C3C)O)S(=O)(=O)O)O)S(=O)(=O)O)S(=O)(=O)O)O

InChI

InChI=1S/C23H24O12S3/c1-11-4-18(24)20(36(27,28)29)8-14(11)6-16-10-22(38(33,34)35)23(26)17(13(16)3)7-15-9-21(37(30,31)32)19(25)5-12(15)2/h4-5,8-10,24-26H,6-7H2,1-3H3,(H,27,28,29)(H,30,31,32)(H,33,34,35)