2-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-5-(4-methylsulfonylphenyl)carbonyl-benzenesulfonic acid

Systemtic Name: 2-[(E)-2-(4-azanyl-2-sulfo-phenyl)ethenyl]-5-(4-methylsulfonylphenyl)carbonyl-benzenesulfonic acid Openeye Name: 2-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-5-(4-methylsulfonylbenzoyl)benzenesulfonic acid CAS Name: 2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-5-[(4-methylsulfonylphenyl)-oxomethyl]benzenesulfonic acid IUPAC Name: 2-[(E)-2-(4-amino-2-sulfophenyl)ethenyl]-5-(4-methylsulfonylbenzoyl)benzenesulfonic acid Traditional Name: 2-[(E)-2-(4-amino-2-sulfo-phenyl)vinyl]-5-(4-mesylbenzoyl)besylic acid Formula: C22H19NO9S3 MolecularWeight: 537.58256

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)C=CC3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)C2=CC(=C(C=C2)/C=C/C3=C(C=C(C=C3)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C22H19NO9S3/c1-33(25,26)19-10-7-16(8-11-19)22(24)17-5-4-14(20(12-17)34(27,28)29)2-3-15-6-9-18(23)13-21(15)35(30,31)32/h2-13H,23H2,1H3,(H,27,28,29)(H,30,31,32)/b3-2+