(6Z)-4-acetamido-6-[[4-[1-[[2,4-bis(chloranyl)-5-dodecoxycarbonyl-phenyl]amino]-1,3-bis(oxidanylidene)-3-[1-(phenylmethyl)cyclopropyl]propan-2-yl]oxyphenyl]hydrazinylidene]-5-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid

Systemtic Name: (6Z)-4-acetamido-6-[[4-[1-[[2,4-bis(chloranyl)-5-dodecoxycarbonyl-phenyl]amino]-1,3-bis(oxidanylidene)-3-[1-(phenylmethyl)cyclopropyl]propan-2-yl]oxyphenyl]hydrazinylidene]-5-oxidanylidene-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Openeye Name: (6Z)-4-acetamido-6-[[4-[1-(1-benzylcyclopropanecarbonyl)-2-(2,4-dichloro-5-dodecoxycarbonyl-anilino)-2-oxo-ethoxy]phenyl]hydrazono]-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid CAS Name: (6Z)-4-acetamido-6-[[4-[1-[2,4-dichloro-5-[dodecoxy(oxo)methyl]anilino]-1,3-dioxo-3-[1-(phenylmethyl)cyclopropyl]propan-2-yl]oxyphenyl]hydrazinylidene]-5-oxo-7-(trioxidanylthio)-2-naphthalenesulfonic acid IUPAC Name: (6Z)-4-acetamido-6-[[4-[1-(1-benzylcyclopropyl)-3-(2,4-dichloro-5-dodecoxycarbonylanilino)-1,3-dioxopropan-2-yl]oxyphenyl]hydrazinylidene]-5-oxo-7-(trioxidanylsulfanyl)naphthalene-2-sulfonic acid Traditional Name: (6Z)-4-acetamido-6-[[4-[1-(1-benzylcyclopropanecarbonyl)-2-(2,4-dichloro-5-lauryloxycarbonyl-anilino)-2-keto-ethoxy]phenyl]hydrazono]-5-keto-7-(trioxidanylthio)naphthalene-2-sulfonic acid Formula: C50H54Cl2N4O13S2 MolecularWeight: 1054.01876

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1Cl)Cl)NC(=O)C(C(=O)C2(CC2)CC3=CC=CC=C3)OC4=CC=C(C=C4)NN=C5C(=CC6=CC(=CC(=C6C5=O)NC(=O)C)S(=O)(=O)O)SOOO

Isomeric SMILES

CCCCCCCCCCCCOC(=O)C1=CC(=C(C=C1Cl)Cl)NC(=O)C(C(=O)C2(CC2)CC3=CC=CC=C3)OC4=CC=C(C=C4)N/N=C/5\C(=CC6=CC(=CC(=C6C5=O)NC(=O)C)S(=O)(=O)O)SOOO

InChI

InChI=1S/C50H54Cl2N4O13S2/c1-3-4-5-6-7-8-9-10-11-15-24-66-49(61)37-28-40(39(52)29-38(37)51)54-48(60)46(47(59)50(22-23-50)30-32-16-13-12-14-17-32)67-35-20-18-34(19-21-35)55-56-44-42(70-69-68-62)26-33-25-36(71(63,64)65)27-41(53-31(2)57)43(33)45(44)58/h12-14,16-21,25-29,46,55,62H,3-11,15,22-24,30H2,1-2H3,(H,53,57)(H,54,60)(H,63,64,65)/b56-44+