6-acetamido-5-[(4-azanyl-2-sulfo-phenyl)carbonylamino]naphthalene-1,3-disulfonic acid

Systemtic Name: 6-acetamido-5-[(4-azanyl-2-sulfo-phenyl)carbonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 6-acetamido-5-[(4-amino-2-sulfo-benzoyl)amino]naphthalene-1,3-disulfonic acid CAS Name: 6-acetamido-5-[[(4-amino-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 6-acetamido-5-[(4-amino-2-sulfobenzoyl)amino]naphthalene-1,3-disulfonic acid Traditional Name: 6-acetamido-5-[(4-amino-2-sulfo-benzoyl)amino]naphthalene-1,3-disulfonic acid Formula: C19H17N3O11S3 MolecularWeight: 559.54678

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C2=CC(=CC(=C2C=C1)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=C(C=C(C=C3)N)S(=O)(=O)O

Isomeric SMILES

CC(=O)NC1=C(C2=CC(=CC(=C2C=C1)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=C(C=C(C=C3)N)S(=O)(=O)O

InChI

InChI=1S/C19H17N3O11S3/c1-9(23)21-15-5-4-12-14(7-11(34(25,26)27)8-17(12)36(31,32)33)18(15)22-19(24)13-3-2-10(20)6-16(13)35(28,29)30/h2-8H,20H2,1H3,(H,21,23)(H,22,24)(H,25,26,27)(H,28,29,30)(H,31,32,33)