4-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]phthalic acid

Systemtic Name: 4-[(5-oxidanyl-7-sulfo-naphthalen-2-yl)carbamoyl]phthalic acid Openeye Name: 4-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]phthalic acid CAS Name: 4-[[(5-hydroxy-7-sulfo-2-naphthalenyl)amino]-oxomethyl]phthalic acid IUPAC Name: 4-[(5-hydroxy-7-sulfonaphthalen-2-yl)carbamoyl]phthalic acid Traditional Name: 4-[(5-hydroxy-7-sulfo-2-naphthyl)carbamoyl]phthalic acid Formula: C19H13NO9S MolecularWeight: 431.37282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=C(C=C1C(=O)NC2=CC3=CC(=CC(=C3C=C2)O)S(=O)(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C19H13NO9S/c21-16-8-12(30(27,28)29)6-10-5-11(2-4-13(10)16)20-17(22)9-1-3-14(18(23)24)15(7-9)19(25)26/h1-8,21H,(H,20,22)(H,23,24)(H,25,26)(H,27,28,29)