8-oxidanyl-7-[[4-[(E)-2-[4-[[4-[(E)-2-[4-[(8-oxidanyl-5-sulfo-quinolin-7-yl)carbonylamino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]carbamoylamino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid; sodium

Systemtic Name: 8-oxidanyl-7-[[4-[(E)-2-[4-[[4-[(E)-2-[4-[(8-oxidanyl-5-sulfo-quinolin-7-yl)carbonylamino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]carbamoylamino]-2-sulfo-phenyl]ethenyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid; sodium Openeye Name: 8-hydroxy-7-[[4-[(E)-2-[4-[[4-[(E)-2-[4-[(8-hydroxy-5-sulfo-quinoline-7-carbonyl)amino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]carbamoylamino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid; sodium CAS Name: 8-hydroxy-7-[[4-[(E)-2-[4-[[[4-[(E)-2-[4-[[(8-hydroxy-5-sulfo-7-quinolinyl)-oxomethyl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-oxomethyl]amino]-2-sulfophenyl]ethenyl]-3-sulfoanilino]-oxomethyl]-5-quinolinesulfonic acid; sodium IUPAC Name: 8-hydroxy-7-[[4-[(E)-2-[4-[[4-[(E)-2-[4-[(8-hydroxy-5-sulfoquinoline-7-carbonyl)amino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]carbamoylamino]-2-sulfophenyl]ethenyl]-3-sulfophenyl]carbamoyl]quinoline-5-sulfonic acid; sodium Traditional Name: 8-hydroxy-7-[[4-[(E)-2-[4-[[4-[(E)-2-[4-[(8-hydroxy-5-sulfo-quinoline-7-carbonyl)amino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]carbamoylamino]-2-sulfo-phenyl]vinyl]-3-sulfo-phenyl]carbamoyl]quinoline-5-sulfonic acid; sodium Formula: C49H36N6NaO23S6 MolecularWeight: 1292.21631

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)C=CC4=C(C=C(C=C4)NC(=O)NC5=CC(=C(C=C5)C=CC6=C(C=C(C=C6)NC(=O)C7=CC(=C8C=CC=NC8=C7O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

Isomeric SMILES

C1=CC2=C(C=C(C(=C2N=C1)O)C(=O)NC3=CC(=C(C=C3)/C=C/C4=C(C=C(C=C4)NC(=O)NC5=CC(=C(C=C5)/C=C/C6=C(C=C(C=C6)NC(=O)C7=CC(=C8C(=C7O)N=CC=C8)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O.[Na]

InChI

InChI=1S/C49H36N6O23S6.Na/c56-45-35(23-41(83(73,74)75)33-3-1-17-50-43(33)45)47(58)52-29-13-9-25(37(19-29)79(61,62)63)5-7-27-11-15-31(21-39(27)81(67,68)69)54-49(60)55-32-16-12-28(40(22-32)82(70,71)72)8-6-26-10-14-30(20-38(26)80(64,65)66)53-48(59)36-24-42(84(76,77)78)34-4-2-18-51-44(34)46(36)57;/h1-24,56-57H,(H,52,58)(H,53,59)(H2,54,55,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)(H,73,74,75)(H,76,77,78);/b7-5+,8-6+;