tetrasodium 2-[[4-chloranyl-6-[[3-[(2Z)-2-[8-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-1-oxidanylidene-3-sulfo-6-sulfonato-naphthalen-2-ylidene]hydrazinyl]-4-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfonato-benzoate

Systemtic Name: tetrasodium 2-[[4-chloranyl-6-[[3-[(2Z)-2-[8-[[4-chloranyl-6-[methyl(phenyl)amino]-1,3,5-triazin-2-yl]amino]-1-oxidanylidene-3-sulfo-6-sulfonato-naphthalen-2-ylidene]hydrazinyl]-4-sulfonato-phenyl]amino]-1,3,5-triazin-2-yl]amino]-5-sulfonato-benzoate Openeye Name: tetrasodium 2-[[4-chloro-6-[3-[(2Z)-2-[8-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-oxo-3-sulfo-6-sulfonato-2-naphthylidene]hydrazino]-4-sulfonato-anilino]-1,3,5-triazin-2-yl]amino]-5-sulfonato-benzoate CAS Name: tetrasodium 2-[[4-chloro-6-[3-[(2Z)-2-[8-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-oxo-3-sulfo-6-sulfonato-2-naphthalenylidene]hydrazinyl]-4-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-5-sulfonatobenzoate IUPAC Name: tetrasodium 2-[[4-chloro-6-[3-[(2Z)-2-[8-[[4-chloro-6-(N-methylanilino)-1,3,5-triazin-2-yl]amino]-1-oxo-3-sulfo-6-sulfonatonaphthalen-2-ylidene]hydrazinyl]-4-sulfonatoanilino]-1,3,5-triazin-2-yl]amino]-5-sulfonatobenzoate Traditional Name: tetrasodium 2-[[4-chloro-6-[3-[(N'Z)-N'-[8-[[4-chloro-6-(N-methylanilino)-s-triazin-2-yl]amino]-1-keto-3-sulfo-6-sulfonato-2-naphthylidene]hydrazino]-4-sulfonato-anilino]-s-triazin-2-yl]amino]-5-sulfonato-benzoate Formula: C36H22Cl2N12Na4O15S4 MolecularWeight: 1153.75636

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(C(=NNC5=C(C=CC(=C5)NC6=NC(=NC(=N6)Cl)NC7=C(C=C(C=C7)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-])C4=O)S(=O)(=O)O)Cl.[Na+].[Na+].[Na+].[Na+]

Isomeric SMILES

CN(C1=CC=CC=C1)C2=NC(=NC(=N2)NC3=C4C(=CC(=C3)S(=O)(=O)[O-])C=C(/C(=N\NC5=C(C=CC(=C5)NC6=NC(=NC(=N6)Cl)NC7=C(C=C(C=C7)S(=O)(=O)[O-])C(=O)[O-])S(=O)(=O)[O-])/C4=O)S(=O)(=O)O)Cl.[Na+].[Na+].[Na+].[Na+]

InChI

InChI=1S/C36H26Cl2N12O15S4.4Na/c1-50(18-5-3-2-4-6-18)36-45-32(38)44-35(47-36)41-24-15-20(67(57,58)59)11-16-12-26(69(63,64)65)28(29(51)27(16)24)49-48-23-13-17(7-10-25(23)68(60,61)62)39-33-42-31(37)43-34(46-33)40-22-9-8-19(66(54,55)56)14-21(22)30(52)53;;;;/h2-15,48H,1H3,(H,52,53)(H,54,55,56)(H,57,58,59)(H,60,61,62)(H,63,64,65)(H,41,44,45,47)(H2,39,40,42,43,46);;;;/q;4*+1/p-4/b49-28+;;;;