disodium (3Z)-5-benzamido-3-[[4-[4-[3-(dodecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxybutan-2-yloxy]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-benzamido-3-[[4-[4-[3-(dodecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxybutan-2-yloxy]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-benzamido-3-[[4-[3-[[3-(dodecylcarbamoyl)-4-hydroxy-1-naphthyl]oxy]-1-methyl-propoxy]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-benzamido-3-[[4-[4-[[3-[(dodecylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]butan-2-yloxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-benzamido-3-[[4-[4-[3-(dodecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxybutan-2-yloxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-benzamido-3-[[4-[3-[4-hydroxy-3-(laurylcarbamoyl)-1-naphthoxy]-1-methyl-propoxy]phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C50H54N4Na2O12S2 MolecularWeight: 1013.0929

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCC(C)OC3=CC=C(C=C3)NN=C4C(=CC5=CC(=CC(=C5C4=O)NC(=O)C6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCCC(C)OC3=CC=C(C=C3)N/N=C/4\C(=CC5=CC(=CC(=C5C4=O)NC(=O)C6=CC=CC=C6)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C50H56N4O12S2.2Na/c1-3-4-5-6-7-8-9-10-11-17-27-51-50(58)41-32-43(39-20-15-16-21-40(39)47(41)55)65-28-26-33(2)66-37-24-22-36(23-25-37)53-54-46-44(68(62,63)64)30-35-29-38(67(59,60)61)31-42(45(35)48(46)56)52-49(57)34-18-13-12-14-19-34;;/h12-16,18-25,29-33,53,55H,3-11,17,26-28H2,1-2H3,(H,51,58)(H,52,57)(H,59,60,61)(H,62,63,64);;/q;2*+1/p-2/b54-46+;;