(6E)-4-acetamido-6-[[4-[3-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxyphenyl]hydrazinylidene]-7-methyl-5-oxidanylidene-naphthalene-2-sulfonic acid

Systemtic Name: (6E)-4-acetamido-6-[[4-[3-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-4-oxidanyl-naphthalen-1-yl]oxyphenyl]hydrazinylidene]-7-methyl-5-oxidanylidene-naphthalene-2-sulfonic acid Openeye Name: (6E)-4-acetamido-6-[[4-[[3-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthyl]oxy]phenyl]hydrazono]-7-methyl-5-oxo-naphthalene-2-sulfonic acid CAS Name: (6E)-4-acetamido-6-[[4-[[3-[[4-(2,4-dimethylphenoxy)butylamino]-oxomethyl]-4-hydroxy-1-naphthalenyl]oxy]phenyl]hydrazinylidene]-7-methyl-5-oxo-2-naphthalenesulfonic acid IUPAC Name: (6E)-4-acetamido-6-[[4-[3-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-4-hydroxynaphthalen-1-yl]oxyphenyl]hydrazinylidene]-7-methyl-5-oxonaphthalene-2-sulfonic acid Traditional Name: (6E)-4-acetamido-6-[[4-[3-[4-(2,4-dimethylphenoxy)butylcarbamoyl]-4-hydroxy-1-naphthoxy]phenyl]hydrazono]-5-keto-7-methyl-naphthalene-2-sulfonic acid Formula: C42H40N4O9S MolecularWeight: 776.8534

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Descriptors Computed from Structure

Canonical SMILES:

CC1=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)C)O)C

Isomeric SMILES

CC1=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)C)O)C

InChI

InChI=1S/C42H40N4O9S/c1-24-11-16-36(25(2)19-24)54-18-8-7-17-43-42(50)34-23-37(32-9-5-6-10-33(32)40(34)48)55-30-14-12-29(13-15-30)45-46-39-26(3)20-28-21-31(56(51,52)53)22-35(44-27(4)47)38(28)41(39)49/h5-6,9-16,19-23,45,48H,7-8,17-18H2,1-4H3,(H,43,50)(H,44,47)(H,51,52,53)/b46-39+