7-[2-[bis[2-[(8-oxidanyl-5-sulfonato-quinolin-7-yl)carbonylamino]ethyl]amino]ethylcarbamoyl]-8-oxidanyl-quinoline-5-sulfonate

Systemtic Name: 7-[2-[bis[2-[(8-oxidanyl-5-sulfonato-quinolin-7-yl)carbonylamino]ethyl]amino]ethylcarbamoyl]-8-oxidanyl-quinoline-5-sulfonate Openeye Name: 7-[2-[bis[2-[(8-hydroxy-5-sulfonato-quinoline-7-carbonyl)amino]ethyl]amino]ethylcarbamoyl]-8-hydroxy-quinoline-5-sulfonate CAS Name: 7-[[2-[bis[2-[[(8-hydroxy-5-sulfonato-7-quinolinyl)-oxomethyl]amino]ethyl]amino]ethylamino]-oxomethyl]-8-hydroxy-5-quinolinesulfonate IUPAC Name: 7-[2-[bis[2-[(8-hydroxy-5-sulfonatoquinoline-7-carbonyl)amino]ethyl]amino]ethylcarbamoyl]-8-hydroxyquinoline-5-sulfonate Traditional Name: 7-[2-[bis[2-[(8-hydroxy-5-sulfonato-quinoline-7-carbonyl)amino]ethyl]amino]ethylcarbamoyl]-8-hydroxy-quinoline-5-sulfonate Formula: C36H30N7O15S3-3 MolecularWeight: 896.8563

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NCCN(CCNC(=O)C3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)[O-])CCNC(=O)C5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)[O-])S(=O)(=O)[O-]

Isomeric SMILES

C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NCCN(CCNC(=O)C3=CC(=C4C=CC=NC4=C3O)S(=O)(=O)[O-])CCNC(=O)C5=CC(=C6C=CC=NC6=C5O)S(=O)(=O)[O-])S(=O)(=O)[O-]

InChI

InChI=1S/C36H33N7O15S3/c44-31-22(16-25(59(50,51)52)19-4-1-7-37-28(19)31)34(47)40-10-13-43(14-11-41-35(48)23-17-26(60(53,54)55)20-5-2-8-38-29(20)32(23)45)15-12-42-36(49)24-18-27(61(56,57)58)21-6-3-9-39-30(21)33(24)46/h1-9,16-18,44-46H,10-15H2,(H,40,47)(H,41,48)(H,42,49)(H,50,51,52)(H,53,54,55)(H,56,57,58)/p-3