4-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)sulfamoyl]phthalic acid

Systemtic Name: 4-[(8-oxidanyl-3,6-disulfo-naphthalen-1-yl)sulfamoyl]phthalic acid Openeye Name: 4-[(8-hydroxy-3,6-disulfo-1-naphthyl)sulfamoyl]phthalic acid CAS Name: 4-[(8-hydroxy-3,6-disulfo-1-naphthalenyl)sulfamoyl]phthalic acid IUPAC Name: 4-[(8-hydroxy-3,6-disulfonaphthalen-1-yl)sulfamoyl]phthalic acid Traditional Name: 4-[(8-hydroxy-3,6-disulfo-1-naphthyl)sulfamoyl]phthalic acid Formula: C18H13NO13S3 MolecularWeight: 547.48972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NC2=C3C(=CC(=C2)S(=O)(=O)O)C=C(C=C3O)S(=O)(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13NO13S3/c20-15-7-11(35(30,31)32)4-8-3-10(34(27,28)29)6-14(16(8)15)19-33(25,26)9-1-2-12(17(21)22)13(5-9)18(23)24/h1-7,19-20H,(H,21,22)(H,23,24)(H,27,28,29)(H,30,31,32)