3-[[2-methyl-4-[3-methyl-4-[(2-oxidanyl-3-sulfo-propyl)amino]phenyl]phenyl]amino]-2-oxidanyl-propane-1-sulfonic acid

Systemtic Name: 3-[[2-methyl-4-[3-methyl-4-[(2-oxidanyl-3-sulfo-propyl)amino]phenyl]phenyl]amino]-2-oxidanyl-propane-1-sulfonic acid Openeye Name: 2-hydroxy-3-[4-[4-[(2-hydroxy-3-sulfo-propyl)amino]-3-methyl-phenyl]-2-methyl-anilino]propane-1-sulfonic acid CAS Name: 2-hydroxy-3-[4-[4-[(2-hydroxy-3-sulfopropyl)amino]-3-methylphenyl]-2-methylanilino]-1-propanesulfonic acid IUPAC Name: 2-hydroxy-3-[4-[4-[(2-hydroxy-3-sulfopropyl)amino]-3-methylphenyl]-2-methylanilino]propane-1-sulfonic acid Traditional Name: 2-hydroxy-3-[4-[4-[(2-hydroxy-3-sulfo-propyl)amino]-3-methyl-phenyl]-2-methyl-anilino]propane-1-sulfonic acid Formula: C20H28N2O8S2 MolecularWeight: 488.57492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NCC(CS(=O)(=O)O)O)C)NCC(CS(=O)(=O)O)O

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=C(C=C2)NCC(CS(=O)(=O)O)O)C)NCC(CS(=O)(=O)O)O

InChI

InChI=1S/C20H28N2O8S2/c1-13-7-15(3-5-19(13)21-9-17(23)11-31(25,26)27)16-4-6-20(14(2)8-16)22-10-18(24)12-32(28,29)30/h3-8,17-18,21-24H,9-12H2,1-2H3,(H,25,26,27)(H,28,29,30)