disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)ethenyl]-5-azanyl-benzenesulfonate

Systemtic Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)ethenyl]-5-azanyl-benzenesulfonate Openeye Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)vinyl]-5-amino-benzenesulfonate CAS Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]-5-aminobenzenesulfonate IUPAC Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonatophenyl)ethenyl]-5-aminobenzenesulfonate Traditional Name: disodium 2-[(E)-2-(4-acetamido-2-sulfonato-phenyl)vinyl]-5-amino-besylate Formula: C16H14N2Na2O7S2 MolecularWeight: 456.4011

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1)C=CC2=C(C=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1)/C=C/C2=C(C=C(C=C2)N)S(=O)(=O)[O-])S(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C16H16N2O7S2.2Na/c1-10(19)18-14-7-5-12(16(9-14)27(23,24)25)3-2-11-4-6-13(17)8-15(11)26(20,21)22;;/h2-9H,17H2,1H3,(H,18,19)(H,20,21,22)(H,23,24,25);;/q;2*+1/p-2/b3-2+;;