[(E)-[(4-cyanophenyl)-(5,7-dibutoxy-2-oxidanylidene-chromen-3-yl)methylidene]amino] 4-dodecylbenzenesulfonate

Systemtic Name: [(E)-[(4-cyanophenyl)-(5,7-dibutoxy-2-oxidanylidene-chromen-3-yl)methylidene]amino] 4-dodecylbenzenesulfonate Openeye Name: [(E)-[(4-cyanophenyl)-(5,7-dibutoxy-2-oxo-chromen-3-yl)methylene]amino] 4-dodecylbenzenesulfonate CAS Name: 4-dodecylbenzenesulfonic acid [(E)-[(4-cyanophenyl)-(5,7-dibutoxy-2-oxo-1-benzopyran-3-yl)methylidene]amino] ester IUPAC Name: [(E)-[(4-cyanophenyl)-(5,7-dibutoxy-2-oxochromen-3-yl)methylidene]amino] 4-dodecylbenzenesulfonate Traditional Name: 4-laurylbenzenesulfonic acid [(E)-[(4-cyanophenyl)-(5,7-dibutoxy-2-keto-chromen-3-yl)methylene]amino] ester Formula: C43H54N2O7S MolecularWeight: 742.96306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)ON=C(C2=CC=C(C=C2)C#N)C3=CC4=C(C=C(C=C4OC3=O)OCCCC)OCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)S(=O)(=O)O/N=C(\C2=CC=C(C=C2)C#N)/C3=CC4=C(C=C(C=C4OC3=O)OCCCC)OCCCC

InChI

InChI=1S/C43H54N2O7S/c1-4-7-10-11-12-13-14-15-16-17-18-33-21-25-37(26-22-33)53(47,48)52-45-42(35-23-19-34(32-44)20-24-35)39-31-38-40(50-28-9-6-3)29-36(49-27-8-5-2)30-41(38)51-43(39)46/h19-26,29-31H,4-18,27-28H2,1-3H3/b45-42+