3-nitro-5-[(8-oxidanyl-4,6-disulfo-naphthalen-1-yl)carbamoyl]benzoic acid

Systemtic Name: 3-nitro-5-[(8-oxidanyl-4,6-disulfo-naphthalen-1-yl)carbamoyl]benzoic acid Openeye Name: 3-[(8-hydroxy-4,6-disulfo-1-naphthyl)carbamoyl]-5-nitro-benzoic acid CAS Name: 3-[[(8-hydroxy-4,6-disulfo-1-naphthalenyl)amino]-oxomethyl]-5-nitrobenzoic acid IUPAC Name: 3-[(8-hydroxy-4,6-disulfonaphthalen-1-yl)carbamoyl]-5-nitrobenzoic acid Traditional Name: 3-[(8-hydroxy-4,6-disulfo-1-naphthyl)carbamoyl]-5-nitro-benzoic acid Formula: C18H12N2O12S2 MolecularWeight: 512.42408

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(C=C(C2=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C=C(C=C(C2=C1NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C18H12N2O12S2/c21-14-7-11(33(27,28)29)6-12-15(34(30,31)32)2-1-13(16(12)14)19-17(22)8-3-9(18(23)24)5-10(4-8)20(25)26/h1-7,21H,(H,19,22)(H,23,24)(H,27,28,29)(H,30,31,32)