dipotassium 3-[[2-methyl-4-[3-methyl-4-[(2-oxidanyl-3-sulfonato-propyl)amino]phenyl]phenyl]amino]-2-oxidanyl-propane-1-sulfonate

Systemtic Name: dipotassium 3-[[2-methyl-4-[3-methyl-4-[(2-oxidanyl-3-sulfonato-propyl)amino]phenyl]phenyl]amino]-2-oxidanyl-propane-1-sulfonate Openeye Name: dipotassium 2-hydroxy-3-[4-[4-[(2-hydroxy-3-sulfonato-propyl)amino]-3-methyl-phenyl]-2-methyl-anilino]propane-1-sulfonate CAS Name: dipotassium 2-hydroxy-3-[4-[4-[(2-hydroxy-3-sulfonatopropyl)amino]-3-methylphenyl]-2-methylanilino]-1-propanesulfonate IUPAC Name: dipotassium 2-hydroxy-3-[4-[4-[(2-hydroxy-3-sulfonatopropyl)amino]-3-methylphenyl]-2-methylanilino]propane-1-sulfonate Traditional Name: dipotassium 2-hydroxy-3-[4-[4-[(2-hydroxy-3-sulfonato-propyl)amino]-3-methyl-phenyl]-2-methyl-anilino]propane-1-sulfonate Formula: C20H26K2N2O8S2 MolecularWeight: 564.75564

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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.[K+].[K+]

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.[K+].[K+]

InChI

InChI=1S/C20H28N2O8S2.2K/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);;/q;2*+1/p-2