sodium 2-[(2Z)-2-[6-(methylamino)-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonate

Systemtic Name: sodium 2-[(2Z)-2-[6-(methylamino)-1-oxidanylidene-3-sulfonato-naphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonate Openeye Name: sodium 2-[(2Z)-2-[6-(methylamino)-1-oxo-3-sulfonato-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonate CAS Name: sodium 2-[(2Z)-2-[6-(methylamino)-1-oxo-3-sulfonato-2-naphthalenylidene]hydrazinyl]naphthalene-1,5-disulfonate IUPAC Name: sodium 2-[(2Z)-2-[6-(methylamino)-1-oxo-3-sulfonatonaphthalen-2-ylidene]hydrazinyl]naphthalene-1,5-disulfonate Traditional Name: sodium 2-[(N'Z)-N'-[1-keto-6-(methylamino)-3-sulfonato-2-naphthylidene]hydrazino]naphthalene-1,5-disulfonate Formula: C21H14N3NaO10S3-2 MolecularWeight: 587.53473

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=CC2=C(C=C1)C(=O)C(=NNC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])C(=C2)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CNC1=CC2=C(C=C1)C(=O)/C(=N/NC3=C(C4=C(C=C3)C(=CC=C4)S(=O)(=O)[O-])S(=O)(=O)[O-])/C(=C2)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C21H17N3O10S3.Na/c1-22-12-5-6-13-11(9-12)10-18(36(29,30)31)19(20(13)25)24-23-16-8-7-14-15(21(16)37(32,33)34)3-2-4-17(14)35(26,27)28;/h2-10,22-23H,1H3,(H,26,27,28)(H,29,30,31)(H,32,33,34);/q;+1/p-3/b24-19+;