5-[2-[5-[[[4-(2-hydroxyethylamino)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]-methyl-amino]methyl]-2-sulfo-phenyl]hydrazinyl]-6-methylimino-4-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: 5-[2-[5-[[[4-(2-hydroxyethylamino)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]-methyl-amino]methyl]-2-sulfo-phenyl]hydrazinyl]-6-methylimino-4-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: 5-[2-[5-[[[4-(2-hydroxyethylamino)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]-methyl-amino]methyl]-2-sulfo-phenyl]hydrazino]-6-methylimino-4-oxo-naphthalene-2-sulfonic acid CAS Name: 5-[[5-[[[4-(2-hydroxyethylamino)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-sulfophenyl]hydrazo]-6-methylimino-4-oxo-2-naphthalenesulfonic acid IUPAC Name: 5-[2-[5-[[[4-(2-hydroxyethylamino)-6-[methyl(2-sulfoethyl)amino]-1,3,5-triazin-2-yl]-methylamino]methyl]-2-sulfophenyl]hydrazinyl]-6-methylimino-4-oxonaphthalene-2-sulfonic acid Traditional Name: 5-[N'-[5-[[[4-(2-hydroxyethylamino)-6-[methyl(2-sulfoethyl)amino]-s-triazin-2-yl]-methyl-amino]methyl]-2-sulfo-phenyl]hydrazino]-4-keto-6-methylimino-naphthalene-2-sulfonic acid Formula: C27H33N9O11S3 MolecularWeight: 755.79962

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Descriptors Computed from Structure

Canonical SMILES:

CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=CC(=C3)CN(C)C4=NC(=NC(=N4)NCCO)N(C)CCS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

CN=C1C=CC2=CC(=CC(=O)C2=C1NNC3=C(C=CC(=C3)CN(C)C4=NC(=NC(=N4)NCCO)N(C)CCS(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C27H33N9O11S3/c1-28-19-6-5-17-13-18(49(42,43)44)14-21(38)23(17)24(19)34-33-20-12-16(4-7-22(20)50(45,46)47)15-36(3)27-31-25(29-8-10-37)30-26(32-27)35(2)9-11-48(39,40)41/h4-7,12-14,33-34,37H,8-11,15H2,1-3H3,(H,39,40,41)(H,42,43,44)(H,45,46,47)(H,29,30,31,32)