(3E)-5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxyphenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid; pyridine

Systemtic Name: (3E)-5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxyphenyl]hydrazinylidene]-4-oxidanylidene-naphthalene-2,7-disulfonic acid; pyridine Openeye Name: (3E)-5-acetamido-3-[[4-[[3-[4-[2,4-bis(1,1-dimethylpropyl)phenoxy]butylcarbamoyl]-4-hydroxy-1-naphthyl]oxy]phenyl]hydrazono]-4-oxo-naphthalene-2,7-disulfonic acid; pyridine CAS Name: (3E)-5-acetamido-3-[[4-[[3-[[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid; pyridine IUPAC Name: (3E)-5-acetamido-3-[[4-[3-[4-[2,4-bis(2-methylbutan-2-yl)phenoxy]butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxyphenyl]hydrazinylidene]-4-oxonaphthalene-2,7-disulfonic acid; pyridine Traditional Name: (3E)-5-acetamido-3-[[4-[3-[4-(2,4-ditert-amylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthoxy]phenyl]hydrazono]-4-keto-naphthalene-2,7-disulfonic acid; pyridine Formula: C59H64N6O12S2 MolecularWeight: 1113.30246

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)NN=C5C(=CC6=CC(=CC(=C6C5=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)O)C(C)(C)CC.C1=CC=NC=C1.C1=CC=NC=C1

Isomeric SMILES

CCC(C)(C)C1=CC(=C(C=C1)OCCCCNC(=O)C2=C(C3=CC=CC=C3C(=C2)OC4=CC=C(C=C4)N/N=C\5/C(=CC6=CC(=CC(=C6C5=O)NC(=O)C)S(=O)(=O)O)S(=O)(=O)O)O)C(C)(C)CC.C1=CC=NC=C1.C1=CC=NC=C1

InChI

InChI=1S/C49H54N4O12S2.2C5H5N/c1-8-48(4,5)31-16-21-40(38(26-31)49(6,7)9-2)64-23-13-12-22-50-47(57)37-28-41(35-14-10-11-15-36(35)45(37)55)65-33-19-17-32(18-20-33)52-53-44-42(67(61,62)63)25-30-24-34(66(58,59)60)27-39(51-29(3)54)43(30)46(44)56;2*1-2-4-6-5-3-1/h10-11,14-21,24-28,52,55H,8-9,12-13,22-23H2,1-7H3,(H,50,57)(H,51,54)(H,58,59,60)(H,61,62,63);2*1-5H/b53-44-;;