disodium (3Z)-5-azanyl-3-[[4-[4-[[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxymethyl]phenoxy]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate

Systemtic Name: disodium (3Z)-5-azanyl-3-[[4-[4-[[3-(hexadecylcarbamoyl)-4-oxidanyl-naphthalen-1-yl]oxymethyl]phenoxy]phenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonate Openeye Name: disodium (3Z)-5-amino-3-[[4-[4-[[3-(hexadecylcarbamoyl)-4-hydroxy-1-naphthyl]oxymethyl]phenoxy]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonate CAS Name: disodium (3Z)-5-amino-3-[[4-[4-[[3-[(hexadecylamino)-oxomethyl]-4-hydroxy-1-naphthalenyl]oxymethyl]phenoxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate IUPAC Name: disodium (3Z)-5-amino-3-[[4-[4-[[3-(hexadecylcarbamoyl)-4-hydroxynaphthalen-1-yl]oxymethyl]phenoxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonate Traditional Name: disodium (3Z)-5-amino-3-[[4-[4-[[3-(cetylcarbamoyl)-4-hydroxy-1-naphthoxy]methyl]phenoxy]phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonate Formula: C50H56N4Na2O11S2 MolecularWeight: 999.10938

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCC3=CC=C(C=C3)OC4=CC=C(C=C4)NN=C5C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCNC(=O)C1=C(C2=CC=CC=C2C(=C1)OCC3=CC=C(C=C3)OC4=CC=C(C=C4)N/N=C/5\C(=CC6=CC(=CC(=C6C5=O)N)S(=O)(=O)[O-])S(=O)(=O)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C50H58N4O11S2.2Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-28-52-50(57)42-32-44(40-18-15-16-19-41(40)48(42)55)64-33-34-20-24-37(25-21-34)65-38-26-22-36(23-27-38)53-54-47-45(67(61,62)63)30-35-29-39(66(58,59)60)31-43(51)46(35)49(47)56;;/h15-16,18-27,29-32,53,55H,2-14,17,28,33,51H2,1H3,(H,52,57)(H,58,59,60)(H,61,62,63);;/q;2*+1/p-2/b54-47+;;