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

Systemtic Name: 8-[[4-methyl-3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]phenyl]carbonylamino]phenyl]carbonylamino]naphthalene-1,3,5-trisulfonic acid Openeye Name: 8-[[4-methyl-3-[[3-[[2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid CAS Name: 8-[[[4-methyl-3-[[[3-[[2-methyl-5-[oxo-[(4,6,8-trisulfo-1-naphthalenyl)amino]methyl]anilino]-oxomethyl]phenyl]-oxomethyl]amino]phenyl]-oxomethyl]amino]naphthalene-1,3,5-trisulfonic acid IUPAC Name: 8-[[4-methyl-3-[[3-[[2-methyl-5-[(4,6,8-trisulfonaphthalen-1-yl)carbamoyl]phenyl]carbamoyl]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Traditional Name: 8-[[4-methyl-3-[[3-[[2-methyl-5-[(4,6,8-trisulfo-1-naphthyl)carbamoyl]phenyl]carbamoyl]benzoyl]amino]benzoyl]amino]naphthalene-1,3,5-trisulfonic acid Formula: C44H34N4O22S6 MolecularWeight: 1163.14436

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C7C(=CC(=CC7=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C

Isomeric SMILES

CC1=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)C(=O)NC5=C(C=CC(=C5)C(=O)NC6=C7C(=CC(=CC7=C(C=C6)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O)C

InChI

InChI=1S/C44H34N4O22S6/c1-21-6-8-25(43(51)45-31-10-12-35(73(59,60)61)29-17-27(71(53,54)55)19-37(39(29)31)75(65,66)67)15-33(21)47-41(49)23-4-3-5-24(14-23)42(50)48-34-16-26(9-7-22(34)2)44(52)46-32-11-13-36(74(62,63)64)30-18-28(72(56,57)58)20-38(40(30)32)76(68,69)70/h3-20H,1-2H3,(H,45,51)(H,46,52)(H,47,49)(H,48,50)(H,53,54,55)(H,56,57,58)(H,59,60,61)(H,62,63,64)(H,65,66,67)(H,68,69,70)