4-[(8-oxidanyl-3,6-disulfo-naphthalen-2-yl)sulfamoyl]phthalic acid

Systemtic Name: 4-[(8-oxidanyl-3,6-disulfo-naphthalen-2-yl)sulfamoyl]phthalic acid Openeye Name: 4-[(8-hydroxy-3,6-disulfo-2-naphthyl)sulfamoyl]phthalic acid CAS Name: 4-[(8-hydroxy-3,6-disulfo-2-naphthalenyl)sulfamoyl]phthalic acid IUPAC Name: 4-[(8-hydroxy-3,6-disulfonaphthalen-2-yl)sulfamoyl]phthalic acid Traditional Name: 4-[(8-hydroxy-3,6-disulfo-2-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=C(C=C3C=C(C=C(C3=C2)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1S(=O)(=O)NC2=C(C=C3C=C(C=C(C3=C2)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C18H13NO13S3/c20-15-6-10(34(27,28)29)3-8-4-16(35(30,31)32)14(7-12(8)15)19-33(25,26)9-1-2-11(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)