8-[[3-[2-[[2-[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid

Systemtic Name: 8-[[3-[2-[[2-[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[3-[2-[[2-[3-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[oxo-[3-[2-[[oxo-[2-[3-[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-[[3-[2-[[2-[3-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]phenyl]carbamoylamino]phenyl]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[3-[2-[[2-[3-[(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=C(C(=C1)C2=CC(=CC=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC5=CC=CC=C5C6=CC(=CC=C6)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=C(C(=C1)C2=CC(=CC=C2)C(=O)NC3=C4C(=CC(=CC4=C(C=C3)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)NC5=CC=CC=C5C6=CC(=CC=C6)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(48-37-15-17-39(75(61,62)63)33-21-29(73(55,56)57)23-41(43(33)37)77(67,68)69)27-9-5-7-25(19-27)31-11-1-3-13-35(31)50-47(54)51-36-14-4-2-12-32(36)26-8-6-10-28(20-26)46(53)49-38-16-18-40(76(64,65)66)34-22-30(74(58,59)60)24-42(44(34)38)78(70,71)72/h1-24H,(H,48,52)(H,49,53)(H2,50,51,54)(H,55,56,57)(H,58,59,60)(H,61,62,63)(H,64,65,66)(H,67,68,69)(H,70,71,72)