5-azanyl-2-methyl-4-[(E)-2-(4-methyl-3-sulfo-phenyl)ethenyl]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-methyl-4-[(E)-2-(4-methyl-3-sulfo-phenyl)ethenyl]benzenesulfonic acid Openeye Name: 5-amino-2-methyl-4-[(E)-2-(4-methyl-3-sulfo-phenyl)vinyl]benzenesulfonic acid CAS Name: 5-amino-2-methyl-4-[(E)-2-(4-methyl-3-sulfophenyl)ethenyl]benzenesulfonic acid IUPAC Name: 5-amino-2-methyl-4-[(E)-2-(4-methyl-3-sulfophenyl)ethenyl]benzenesulfonic acid Traditional Name: 5-amino-2-methyl-4-[(E)-2-(4-methyl-3-sulfo-phenyl)vinyl]besylic acid Formula: C16H17NO6S2 MolecularWeight: 383.43928

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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)/b6-5+