3-azanyl-5-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]benzoic acid

Systemtic Name: 3-azanyl-5-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)carbamoyl]benzoic acid Openeye Name: 3-amino-5-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]benzoic acid CAS Name: 3-amino-5-[[(8-hydroxy-3,6-disulfo-1-naphthalenyl)amino]-oxomethyl]benzoic acid IUPAC Name: 3-amino-5-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)carbamoyl]benzoic acid Traditional Name: 3-amino-5-[(8-hydroxy-3,6-disulfo-1-naphthyl)carbamoyl]benzoic acid Formula: C18H14N2O10S2 MolecularWeight: 482.44116

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Descriptors Computed from Structure

Canonical SMILES:

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)N)C(=O)O)O)S(=O)(=O)O

Isomeric SMILES

C1=C2C=C(C=C(C2=C(C=C1S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)N)C(=O)O)O)S(=O)(=O)O

InChI

InChI=1S/C18H14N2O10S2/c19-11-2-9(1-10(3-11)18(23)24)17(22)20-14-6-12(31(25,26)27)4-8-5-13(32(28,29)30)7-15(21)16(8)14/h1-7,21H,19H2,(H,20,22)(H,23,24)(H,25,26,27)(H,28,29,30)