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

Systemtic Name: 6-acetamido-5-[(4-nitro-2-sulfo-phenyl)carbonylamino]naphthalene-1,3-disulfonic acid Openeye Name: 6-acetamido-5-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,3-disulfonic acid CAS Name: 6-acetamido-5-[[(4-nitro-2-sulfophenyl)-oxomethyl]amino]naphthalene-1,3-disulfonic acid IUPAC Name: 6-acetamido-5-[(4-nitro-2-sulfobenzoyl)amino]naphthalene-1,3-disulfonic acid Traditional Name: 6-acetamido-5-[(4-nitro-2-sulfo-benzoyl)amino]naphthalene-1,3-disulfonic acid Formula: C19H15N3O13S3 MolecularWeight: 589.5297

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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+](=O)[O-])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+](=O)[O-])S(=O)(=O)O

InChI

InChI=1S/C19H15N3O13S3/c1-9(23)20-15-5-4-12-14(7-11(36(27,28)29)8-17(12)38(33,34)35)18(15)21-19(24)13-3-2-10(22(25)26)6-16(13)37(30,31)32/h2-8H,1H3,(H,20,23)(H,21,24)(H,27,28,29)(H,30,31,32)(H,33,34,35)