5-azanyl-2-methyl-4-[(E)-2-(4-methyl-3-sulfonato-phenyl)ethenyl]benzenesulfonate

Systemtic Name: 5-azanyl-2-methyl-4-[(E)-2-(4-methyl-3-sulfonato-phenyl)ethenyl]benzenesulfonate Openeye Name: 5-amino-2-methyl-4-[(E)-2-(4-methyl-3-sulfonato-phenyl)vinyl]benzenesulfonate CAS Name: 5-amino-2-methyl-4-[(E)-2-(4-methyl-3-sulfonatophenyl)ethenyl]benzenesulfonate IUPAC Name: 5-amino-2-methyl-4-[(E)-2-(4-methyl-3-sulfonatophenyl)ethenyl]benzenesulfonate Traditional Name: 5-amino-2-methyl-4-[(E)-2-(4-methyl-3-sulfonato-phenyl)vinyl]besylate Formula: C16H15NO6S2-2 MolecularWeight: 381.4234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C=CC2=CC(=C(C=C2N)S(=O)(=O)[O-])C)S(=O)(=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)/C=C/C2=CC(=C(C=C2N)S(=O)(=O)[O-])C)S(=O)(=O)[O-]

InChI

InChI=1S/C16H17NO6S2/c1-10-3-4-12(8-15(10)24(18,19)20)5-6-13-7-11(2)16(9-14(13)17)25(21,22)23/h3-9H,17H2,1-2H3,(H,18,19,20)(H,21,22,23)/p-2/b6-5+