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4-[(3-aminophenyl)carbonylamino]naphthalene-1,5-disulfonic acid

4-[(3-aminophenyl)carbonylamino]naphthalene-1,5-disulfonic acid

Systemtic Name:4-[(3-aminophenyl)carbonylamino]naphthalene-1,5-disulfonic acid
Openeye Name:4-[(3-aminobenzoyl)amino]naphthalene-1,5-disulfonic acid
CAS Name:4-[[(3-aminophenyl)-oxomethyl]amino]naphthalene-1,5-disulfonic acid
IUPAC Name:4-[(3-aminobenzoyl)amino]naphthalene-1,5-disulfonic acid
Traditional Name:4-[(3-aminobenzoyl)amino]naphthalene-1,5-disulfonic acid
Formula: C17H14N2O7S2
MolecularWeight: 422.43226
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)NC2=C3C(=C(C=C2)S(=O)(=O)O)C=CC=C3S(=O)(=O)O


InChI

InChI=1S/C17H14N2O7S2/c18-11-4-1-3-10(9-11)17(20)19-13-7-8-14(27(21,22)23)12-5-2-6-15(16(12)13)28(24,25)26/h1-9H,18H2,(H,19,20)(H,21,22,23)(H,24,25,26)


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