disodium 2-[(2Z)-2-(4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-morpholin-4-yl-benzene-1,4-disulfonate

Systemtic Name: disodium 2-[(2Z)-2-(4-methyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-morpholin-4-yl-benzene-1,4-disulfonate Openeye Name: disodium 2-[(2Z)-2-(4-methyl-6-oxo-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-morpholino-benzene-1,4-disulfonate CAS Name: disodium 2-[(2Z)-2-(4-methyl-6-oxo-1-cyclohexa-2,4-dienylidene)hydrazinyl]-5-(4-morpholinyl)benzene-1,4-disulfonate IUPAC Name: disodium 2-[(2Z)-2-(4-methyl-6-oxocyclohexa-2,4-dien-1-ylidene)hydrazinyl]-5-morpholin-4-ylbenzene-1,4-disulfonate Traditional Name: disodium 2-[(N'Z)-N'-(6-keto-4-methyl-cyclohexa-2,4-dien-1-ylidene)hydrazino]-5-morpholino-benzene-1,4-disulfonate Formula: C17H17N3Na2O8S2 MolecularWeight: 501.44172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)C(=NNC2=C(C=C(C(=C2)S(=O)(=O)[O-])N3CCOCC3)S(=O)(=O)[O-])C=C1.[Na+].[Na+]

Isomeric SMILES

CC1=CC(=O)/C(=N\NC2=C(C=C(C(=C2)S(=O)(=O)[O-])N3CCOCC3)S(=O)(=O)[O-])/C=C1.[Na+].[Na+]

InChI

InChI=1S/C17H19N3O8S2.2Na/c1-11-2-3-12(15(21)8-11)18-19-13-9-17(30(25,26)27)14(10-16(13)29(22,23)24)20-4-6-28-7-5-20;;/h2-3,8-10,19H,4-7H2,1H3,(H,22,23,24)(H,25,26,27);;/q;2*+1/p-2/b18-12-;;