1-[[4-[3,5-dimethyl-4-[(2-oxidanyl-1-sulfo-ethyl)amino]phenyl]-2,6-dimethyl-phenyl]amino]-2-oxidanyl-ethanesulfonic acid

Systemtic Name: 1-[[4-[3,5-dimethyl-4-[(2-oxidanyl-1-sulfo-ethyl)amino]phenyl]-2,6-dimethyl-phenyl]amino]-2-oxidanyl-ethanesulfonic acid Openeye Name: 2-hydroxy-1-[4-[4-[(2-hydroxy-1-sulfo-ethyl)amino]-3,5-dimethyl-phenyl]-2,6-dimethyl-anilino]ethanesulfonic acid CAS Name: 2-hydroxy-1-[4-[4-[(2-hydroxy-1-sulfoethyl)amino]-3,5-dimethylphenyl]-2,6-dimethylanilino]ethanesulfonic acid IUPAC Name: 2-hydroxy-1-[4-[4-[(2-hydroxy-1-sulfoethyl)amino]-3,5-dimethylphenyl]-2,6-dimethylanilino]ethanesulfonic acid Traditional Name: 2-hydroxy-1-[4-[4-[(2-hydroxy-1-sulfo-ethyl)amino]-3,5-dimethyl-phenyl]-2,6-dimethyl-anilino]ethanesulfonic acid Formula: C20H28N2O8S2 MolecularWeight: 488.57492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(CO)S(=O)(=O)O)C)C2=CC(=C(C(=C2)C)NC(CO)S(=O)(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1NC(CO)S(=O)(=O)O)C)C2=CC(=C(C(=C2)C)NC(CO)S(=O)(=O)O)C

InChI

InChI=1S/C20H28N2O8S2/c1-11-5-15(6-12(2)19(11)21-17(9-23)31(25,26)27)16-7-13(3)20(14(4)8-16)22-18(10-24)32(28,29)30/h5-8,17-18,21-24H,9-10H2,1-4H3,(H,25,26,27)(H,28,29,30)