disodium 2-[4-[[4-[(2E)-2-[1-ethyl-4-methyl-2,6-bis(oxidanylidene)-5-(sulfonatomethyl)pyridin-3-ylidene]hydrazinyl]phenyl]carbonylamino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate

Systemtic Name: disodium 2-[4-[[4-[(2E)-2-[1-ethyl-4-methyl-2,6-bis(oxidanylidene)-5-(sulfonatomethyl)pyridin-3-ylidene]hydrazinyl]phenyl]carbonylamino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Openeye Name: disodium 2-[4-[[4-[(2E)-2-[1-ethyl-4-methyl-2,6-dioxo-5-(sulfonatomethyl)-3-pyridylidene]hydrazino]benzoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate CAS Name: disodium 2-[4-[[[4-[(2E)-2-[1-ethyl-4-methyl-2,6-dioxo-5-(sulfonatomethyl)-3-pyridinylidene]hydrazinyl]phenyl]-oxomethyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate IUPAC Name: disodium 2-[4-[[4-[(2E)-2-[1-ethyl-4-methyl-2,6-dioxo-5-(sulfonatomethyl)pyridin-3-ylidene]hydrazinyl]benzoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Traditional Name: disodium 2-[4-[[4-[(N'E)-N'-[1-ethyl-2,6-diketo-4-methyl-5-(sulfonatomethyl)-3-pyridylidene]hydrazino]benzoyl]amino]phenyl]-6-methyl-1,3-benzothiazole-7-sulfonate Formula: C30H25N5Na2O9S3 MolecularWeight: 741.72214

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C(=C(C(=NNC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)[O-])C1=O)C)CS(=O)(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CCN1C(=O)C(=C(/C(=N\NC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C(=C(C=C5)C)S(=O)(=O)[O-])/C1=O)C)CS(=O)(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C30H27N5O9S3.2Na/c1-4-35-29(37)22(15-46(39,40)41)17(3)24(30(35)38)34-33-21-12-6-18(7-13-21)27(36)31-20-10-8-19(9-11-20)28-32-23-14-5-16(2)26(25(23)45-28)47(42,43)44;;/h5-14,33H,4,15H2,1-3H3,(H,31,36)(H,39,40,41)(H,42,43,44);;/q;2*+1/p-2/b34-24+;;