4-azanyl-6-[[(E)-3-chloranylprop-2-enoyl]amino]benzene-1,3-disulfonic acid

Systemtic Name: 4-azanyl-6-[[(E)-3-chloranylprop-2-enoyl]amino]benzene-1,3-disulfonic acid Openeye Name: 4-amino-6-[[(E)-3-chloroprop-2-enoyl]amino]benzene-1,3-disulfonic acid CAS Name: 4-amino-6-[[(E)-3-chloro-1-oxoprop-2-enyl]amino]benzene-1,3-disulfonic acid IUPAC Name: 4-amino-6-[[(E)-3-chloroprop-2-enoyl]amino]benzene-1,3-disulfonic acid Traditional Name: 4-amino-6-[[(E)-3-chloroacryloyl]amino]benzene-1,3-disulfonic acid Formula: C9H9ClN2O7S2 MolecularWeight: 356.75996

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1NC(=O)C=CCl)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=C(C(=CC(=C1NC(=O)/C=C/Cl)S(=O)(=O)O)S(=O)(=O)O)N

InChI

InChI=1S/C9H9ClN2O7S2/c10-2-1-9(13)12-6-3-5(11)7(20(14,15)16)4-8(6)21(17,18)19/h1-4H,11H2,(H,12,13)(H,14,15,16)(H,17,18,19)/b2-1+