4-[(2-azanyl-4,8-disulfo-naphthalen-1-yl)carbamoyl]phthalic acid

Systemtic Name: 4-[(2-azanyl-4,8-disulfo-naphthalen-1-yl)carbamoyl]phthalic acid Openeye Name: 4-[(2-amino-4,8-disulfo-1-naphthyl)carbamoyl]phthalic acid CAS Name: 4-[[(2-amino-4,8-disulfo-1-naphthalenyl)amino]-oxomethyl]phthalic acid IUPAC Name: 4-[(2-amino-4,8-disulfonaphthalen-1-yl)carbamoyl]phthalic acid Traditional Name: 4-[(2-amino-4,8-disulfo-1-naphthyl)carbamoyl]phthalic acid Formula: C19H14N2O11S2 MolecularWeight: 510.45126

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O)N)S(=O)(=O)O

Isomeric SMILES

C1=CC2=C(C=C(C(=C2C(=C1)S(=O)(=O)O)NC(=O)C3=CC(=C(C=C3)C(=O)O)C(=O)O)N)S(=O)(=O)O

InChI

InChI=1S/C19H14N2O11S2/c20-12-7-14(34(30,31)32)10-2-1-3-13(33(27,28)29)15(10)16(12)21-17(22)8-4-5-9(18(23)24)11(6-8)19(25)26/h1-7H,20H2,(H,21,22)(H,23,24)(H,25,26)(H,27,28,29)(H,30,31,32)