5-[(2E)-2-[3-[[2,5-bis(chloranyl)phenyl]carbamoyl]-2-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]-2-[(4-butoxyphenyl)amino]benzenesulfonic acid

Systemtic Name: 5-[(2E)-2-[3-[[2,5-bis(chloranyl)phenyl]carbamoyl]-2-oxidanylidene-naphthalen-1-ylidene]hydrazinyl]-2-[(4-butoxyphenyl)amino]benzenesulfonic acid Openeye Name: 2-(4-butoxyanilino)-5-[(2E)-2-[3-[(2,5-dichlorophenyl)carbamoyl]-2-oxo-1-naphthylidene]hydrazino]benzenesulfonic acid CAS Name: 2-(4-butoxyanilino)-5-[(2E)-2-[3-[(2,5-dichloroanilino)-oxomethyl]-2-oxo-1-naphthalenylidene]hydrazinyl]benzenesulfonic acid IUPAC Name: 2-(4-butoxyanilino)-5-[(2E)-2-[3-[(2,5-dichlorophenyl)carbamoyl]-2-oxonaphthalen-1-ylidene]hydrazinyl]benzenesulfonic acid Traditional Name: 2-(4-butoxyanilino)-5-[(N'E)-N'-[3-[(2,5-dichlorophenyl)carbamoyl]-2-keto-1-naphthylidene]hydrazino]besylic acid Formula: C33H28Cl2N4O6S MolecularWeight: 679.56962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)NN=C3C4=CC=CC=C4C=C(C3=O)C(=O)NC5=C(C=CC(=C5)Cl)Cl)S(=O)(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC2=C(C=C(C=C2)N/N=C/3\C4=CC=CC=C4C=C(C3=O)C(=O)NC5=C(C=CC(=C5)Cl)Cl)S(=O)(=O)O

InChI

InChI=1S/C33H28Cl2N4O6S/c1-2-3-16-45-24-12-9-22(10-13-24)36-28-15-11-23(19-30(28)46(42,43)44)38-39-31-25-7-5-4-6-20(25)17-26(32(31)40)33(41)37-29-18-21(34)8-14-27(29)35/h4-15,17-19,36,38H,2-3,16H2,1H3,(H,37,41)(H,42,43,44)/b39-31+