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

Systemtic Name: 8-[[4-tert-butyl-3-[[3-[[3-[[2-tert-butyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]phenyl]carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[4-tert-butyl-3-[[3-[[3-[[2-tert-butyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[4-tert-butyl-3-[[[3-[[[3-[[2-tert-butyl-5-[oxo-[(4,6,8-trisulfo-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]anilino]-oxomethyl]amino]phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[4-tert-butyl-3-[[3-[[3-[[2-tert-butyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[4-tert-butyl-3-[[3-[[3-[[2-tert-butyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]phenyl]carbamoylamino]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C57H52N6O23S6 MolecularWeight: 1381.43918

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(C)(C)C

Isomeric SMILES

CC(C)(C)C1=C(C=C(C=C1)C(=O)NC2=C3C(=CC(=CC3=C(C=C2)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)NC(=O)C4=CC(=CC=C4)NC(=O)NC5=CC=CC(=C5)C(=O)NC6=C(C=CC(=C6)C(=O)NC7=C8C(=CC(=CC8=C(C=C7)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C(C)(C)C

InChI

InChI=1S/C57H52N6O23S6/c1-56(2,3)39-15-13-31(53(66)60-41-17-19-45(89(75,76)77)37-25-35(87(69,70)71)27-47(49(37)41)91(81,82)83)23-43(39)62-51(64)29-9-7-11-33(21-29)58-55(68)59-34-12-8-10-30(22-34)52(65)63-44-24-32(14-16-40(44)57(4,5)6)54(67)61-42-18-20-46(90(78,79)80)38-26-36(88(72,73)74)28-48(50(38)42)92(84,85)86/h7-28H,1-6H3,(H,60,66)(H,61,67)(H,62,64)(H,63,65)(H2,58,59,68)(H,69,70,71)(H,72,73,74)(H,75,76,77)(H,78,79,80)(H,81,82,83)(H,84,85,86)