8-[[4-[4-[[4-[4-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[4-[4-[[4-[4-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[4-[4-[[4-[4-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[oxo-[4-[4-[[oxo-[4-[4-[oxo-[(4,6,8-trisulfo-1-naphthalenyl)amino]methyl]phenyl]anilino]methyl]amino]phenyl]phenyl]methyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[4-[4-[[4-[4-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[4-[4-[[4-[4-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C47H34N4O21S6 MolecularWeight: 1183.17706

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=O)NC3=CC=C(C=C3)C4=CC=C(C=C4)C(=O)NC5=C6C(=CC(=CC6=C(C=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C47H34N4O21S6/c52-45(50-37-17-19-39(75(61,62)63)35-21-33(73(55,56)57)23-41(43(35)37)77(67,68)69)29-5-1-25(2-6-29)27-9-13-31(14-10-27)48-47(54)49-32-15-11-28(12-16-32)26-3-7-30(8-4-26)46(53)51-38-18-20-40(76(64,65)66)36-22-34(74(58,59)60)24-42(44(36)38)78(70,71)72/h1-24H,(H,50,52)(H,51,53)(H2,48,49,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)