sodium (4E)-4-[[5-methyl-2-[4-(prop-2-enoylamino)butoxy]phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonate

Systemtic Name: sodium (4E)-4-[[5-methyl-2-[4-(prop-2-enoylamino)butoxy]phenyl]hydrazinylidene]-3-oxidanylidene-naphthalene-1-sulfonate Openeye Name: sodium (4E)-4-[[5-methyl-2-[4-(prop-2-enoylamino)butoxy]phenyl]hydrazono]-3-oxo-naphthalene-1-sulfonate CAS Name: sodium (4E)-4-[[5-methyl-2-[4-(1-oxoprop-2-enylamino)butoxy]phenyl]hydrazinylidene]-3-oxo-1-naphthalenesulfonate IUPAC Name: sodium (4E)-4-[[5-methyl-2-[4-(prop-2-enoylamino)butoxy]phenyl]hydrazinylidene]-3-oxonaphthalene-1-sulfonate Traditional Name: sodium (4E)-4-[[2-(4-acrylamidobutoxy)-5-methyl-phenyl]hydrazono]-3-keto-naphthalene-1-sulfonate Formula: C24H24N3NaO6S MolecularWeight: 505.51863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCCNC(=O)C=C)NN=C2C3=CC=CC=C3C(=CC2=O)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCCNC(=O)C=C)N/N=C/2\C3=CC=CC=C3C(=CC2=O)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C24H25N3O6S.Na/c1-3-23(29)25-12-6-7-13-33-21-11-10-16(2)14-19(21)26-27-24-18-9-5-4-8-17(18)22(15-20(24)28)34(30,31)32;/h3-5,8-11,14-15,26H,1,6-7,12-13H2,2H3,(H,25,29)(H,30,31,32);/q;+1/p-1/b27-24+;