8-[(3-aminophenyl)carbonylamino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid

Systemtic Name: 8-[(3-aminophenyl)carbonylamino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid Openeye Name: 8-[(3-aminobenzoyl)amino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid CAS Name: 8-[[(3-aminophenyl)-oxomethyl]amino]-3-(trioxidanylthio)naphthalene-1,5-disulfonic acid IUPAC Name: 8-[(3-aminobenzoyl)amino]-3-(trioxidanylsulfanyl)naphthalene-1,5-disulfonic acid Traditional Name: 8-[(3-aminobenzoyl)amino]-3-(trioxidanylthio)naphthalene-1,5-disulfonic acid Formula: C17H14N2O10S3 MolecularWeight: 502.49546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)N)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)SOOO)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)N)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)SOOO)S(=O)(=O)O

InChI

InChI=1S/C17H14N2O10S3/c18-10-3-1-2-9(6-10)17(20)19-13-4-5-14(31(22,23)24)12-7-11(30-29-28-21)8-15(16(12)13)32(25,26)27/h1-8,21H,18H2,(H,19,20)(H,22,23,24)(H,25,26,27)