3-azanyl-5-[[3-carboxy-5-[(3,5,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoic acid

Systemtic Name: 3-azanyl-5-[[3-carboxy-5-[(3,5,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoic acid Openeye Name: 3-amino-5-[[3-carboxy-5-[(3,5,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzoic acid CAS Name: 3-amino-5-[[3-carboxy-5-[oxo-[(3,5,8-trisulfo-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]benzoic acid IUPAC Name: 3-amino-5-[[3-carboxy-5-[(3,5,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoic acid Traditional Name: 3-amino-5-[[3-carboxy-5-[(3,5,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzoic acid Formula: C26H19N3O15S3 MolecularWeight: 709.63516

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C(=CC(=CC2=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=CC(=CC(=C4)N)C(=O)O)C(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C2C(=CC(=CC2=C1S(=O)(=O)O)S(=O)(=O)O)NC(=O)C3=CC(=CC(=C3)NC(=O)C4=CC(=CC(=C4)N)C(=O)O)C(=O)O)S(=O)(=O)O

InChI

InChI=1S/C26H19N3O15S3/c27-15-5-11(3-13(6-15)25(32)33)23(30)28-16-7-12(4-14(8-16)26(34)35)24(31)29-19-10-17(45(36,37)38)9-18-20(46(39,40)41)1-2-21(22(18)19)47(42,43)44/h1-10H,27H2,(H,28,30)(H,29,31)(H,32,33)(H,34,35)(H,36,37,38)(H,39,40,41)(H,42,43,44)