3-azanyl-6-[(E)-2-(4-azanyl-3-methyl-2-sulfo-phenyl)ethenyl]-2-methyl-benzenesulfonic acid

Systemtic Name: 3-azanyl-6-[(E)-2-(4-azanyl-3-methyl-2-sulfo-phenyl)ethenyl]-2-methyl-benzenesulfonic acid Openeye Name: 3-amino-6-[(E)-2-(4-amino-3-methyl-2-sulfo-phenyl)vinyl]-2-methyl-benzenesulfonic acid CAS Name: 3-amino-6-[(E)-2-(4-amino-3-methyl-2-sulfophenyl)ethenyl]-2-methylbenzenesulfonic acid IUPAC Name: 3-amino-6-[(E)-2-(4-amino-3-methyl-2-sulfophenyl)ethenyl]-2-methylbenzenesulfonic acid Traditional Name: 3-amino-6-[(E)-2-(4-amino-3-methyl-2-sulfo-phenyl)vinyl]-2-methyl-besylic acid Formula: C16H18N2O6S2 MolecularWeight: 398.45392

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1S(=O)(=O)O)C=CC2=C(C(=C(C=C2)N)C)S(=O)(=O)O)N

Isomeric SMILES

CC1=C(C=CC(=C1S(=O)(=O)O)/C=C/C2=C(C(=C(C=C2)N)C)S(=O)(=O)O)N

InChI

InChI=1S/C16H18N2O6S2/c1-9-13(17)7-5-11(15(9)25(19,20)21)3-4-12-6-8-14(18)10(2)16(12)26(22,23)24/h3-8H,17-18H2,1-2H3,(H,19,20,21)(H,22,23,24)/b4-3+