4-[[3-azanyl-5-[(2,4-disulfophenyl)carbamoyl]phenyl]carbonylamino]benzene-1,3-disulfonic acid

Systemtic Name: 4-[[3-azanyl-5-[(2,4-disulfophenyl)carbamoyl]phenyl]carbonylamino]benzene-1,3-disulfonic acid Openeye Name: 4-[[3-amino-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid CAS Name: 4-[[[3-amino-5-[(2,4-disulfoanilino)-oxomethyl]phenyl]-oxomethyl]amino]benzene-1,3-disulfonic acid IUPAC Name: 4-[[3-amino-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid Traditional Name: 4-[[3-amino-5-[(2,4-disulfophenyl)carbamoyl]benzoyl]amino]benzene-1,3-disulfonic acid Formula: C20H17N3O14S4 MolecularWeight: 651.62068

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)N)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C2=CC(=CC(=C2)N)C(=O)NC3=C(C=C(C=C3)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C20H17N3O14S4/c21-12-6-10(19(24)22-15-3-1-13(38(26,27)28)8-17(15)40(32,33)34)5-11(7-12)20(25)23-16-4-2-14(39(29,30)31)9-18(16)41(35,36)37/h1-9H,21H2,(H,22,24)(H,23,25)(H,26,27,28)(H,29,30,31)(H,32,33,34)(H,35,36,37)