sodium 6-azanylidene-5-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate

Systemtic Name: sodium 6-azanylidene-5-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazinyl]-4-oxidanylidene-naphthalene-2-sulfonate Openeye Name: sodium 5-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazino]-6-imino-4-oxo-naphthalene-2-sulfonate CAS Name: sodium 5-[[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazo]-6-imino-4-oxo-2-naphthalenesulfonate IUPAC Name: sodium 5-[2-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-1,3,5-triazin-2-yl]amino]-2-sulfonatophenyl]hydrazinyl]-6-imino-4-oxonaphthalene-2-sulfonate Traditional Name: sodium 5-[N'-[4-[[4-[bis(2-hydroxyethyl)amino]-6-(2-sulfonatoethylamino)-s-triazin-2-yl]amino]-2-sulfonato-phenyl]hydrazino]-6-imino-4-keto-naphthalene-2-sulfonate Formula: C25H26N9NaO12S3-2 MolecularWeight: 763.71181

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)[O-])NNC3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCO)CCO)NCCS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=N)C(=C2C1=CC(=CC2=O)S(=O)(=O)[O-])NNC3=C(C=C(C=C3)NC4=NC(=NC(=N4)N(CCO)CCO)NCCS(=O)(=O)[O-])S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C25H29N9O12S3.Na/c26-17-3-1-14-11-16(48(41,42)43)13-19(37)21(14)22(17)33-32-18-4-2-15(12-20(18)49(44,45)46)28-24-29-23(27-5-10-47(38,39)40)30-25(31-24)34(6-8-35)7-9-36;/h1-4,11-13,26,32-33,35-36H,5-10H2,(H,38,39,40)(H,41,42,43)(H,44,45,46)(H2,27,28,29,30,31);/q;+1/p-3