[1-[[4-[4-[[4-[4-[(9,10-disulfooxyanthracen-1-yl)carbamoyl]phenyl]phenyl]diazenyl]phenyl]phenyl]carbonylamino]-10-sulfooxy-anthracen-9-yl] hydrogen sulfate

Systemtic Name: [1-[[4-[4-[[4-[4-[(9,10-disulfooxyanthracen-1-yl)carbamoyl]phenyl]phenyl]diazenyl]phenyl]phenyl]carbonylamino]-10-sulfooxy-anthracen-9-yl] hydrogen sulfate Openeye Name: [1-[[4-[4-[4-[4-[(9,10-disulfooxy-1-anthryl)carbamoyl]phenyl]phenyl]azophenyl]benzoyl]amino]-10-sulfooxy-9-anthryl] hydrogen sulfate CAS Name: sulfuric acid [1-[[[4-[4-[4-[4-[[(9,10-disulfooxy-1-anthracenyl)amino]-oxomethyl]phenyl]phenyl]azophenyl]phenyl]-oxomethyl]amino]-10-sulfooxy-9-anthracenyl] ester IUPAC Name: [1-[[4-[4-[[4-[4-[(9,10-disulfooxyanthracen-1-yl)carbamoyl]phenyl]phenyl]diazenyl]phenyl]benzoyl]amino]-10-sulfooxyanthracen-9-yl] hydrogen sulfate Traditional Name: sulfuric acid [1-[[4-[4-[4-[4-[(9,10-disulfoxy-1-anthryl)carbamoyl]phenyl]phenyl]azophenyl]benzoyl]amino]-10-sulfoxy-9-anthryl] ester Formula: C54H36N4O18S4 MolecularWeight: 1157.13964

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=C2OS(=O)(=O)O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)NC8=CC=CC9=C(C1=CC=CC=C1C(=C98)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=C(C3=C2OS(=O)(=O)O)NC(=O)C4=CC=C(C=C4)C5=CC=C(C=C5)N=NC6=CC=C(C=C6)C7=CC=C(C=C7)C(=O)NC8=CC=CC9=C(C1=CC=CC=C1C(=C98)OS(=O)(=O)O)OS(=O)(=O)O)OS(=O)(=O)O

InChI

InChI=1S/C54H36N4O18S4/c59-53(55-45-13-5-11-43-47(45)51(75-79(67,68)69)41-9-3-1-7-39(41)49(43)73-77(61,62)63)35-19-15-31(16-20-35)33-23-27-37(28-24-33)57-58-38-29-25-34(26-30-38)32-17-21-36(22-18-32)54(60)56-46-14-6-12-44-48(46)52(76-80(70,71)72)42-10-4-2-8-40(42)50(44)74-78(64,65)66/h1-30H,(H,55,59)(H,56,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)