6-(2-cyanoethanoylamino)naphthalene-1,3-disulfonic acid

Systemtic Name: 6-(2-cyanoethanoylamino)naphthalene-1,3-disulfonic acid Openeye Name: 6-[(2-cyanoacetyl)amino]naphthalene-1,3-disulfonic acid CAS Name: 6-[(2-cyano-1-oxoethyl)amino]naphthalene-1,3-disulfonic acid IUPAC Name: 6-[(2-cyanoacetyl)amino]naphthalene-1,3-disulfonic acid Traditional Name: 6-[(2-cyanoacetyl)amino]naphthalene-1,3-disulfonic acid Formula: C13H10N2O7S2 MolecularWeight: 370.3577

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C=C2C=C1NC(=O)CC#N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C=C2C=C1NC(=O)CC#N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C13H10N2O7S2/c14-4-3-13(16)15-9-1-2-11-8(5-9)6-10(23(17,18)19)7-12(11)24(20,21)22/h1-2,5-7H,3H2,(H,15,16)(H,17,18,19)(H,20,21,22)