butan-2-yl(triphenyl)boranuide; (4-methoxy-3-methoxycarbonyl-4-oxidanylidene-2-phenyl-but-2-enyl)-diphenyl-sulfanium

Systemtic Name: butan-2-yl(triphenyl)boranuide; (4-methoxy-3-methoxycarbonyl-4-oxidanylidene-2-phenyl-but-2-enyl)-diphenyl-sulfanium Openeye Name: (4-methoxy-3-methoxycarbonyl-4-oxo-2-phenyl-but-2-enyl)-diphenyl-sulfonium; triphenyl(sec-butyl)boranuide CAS Name: butan-2-yl(triphenyl)boranuide; (4-methoxy-3-methoxycarbonyl-4-oxo-2-phenylbut-2-enyl)-diphenylsulfonium IUPAC Name: butan-2-yl(triphenyl)boranuide; (4-methoxy-3-methoxycarbonyl-4-oxo-2-phenylbut-2-enyl)-diphenylsulfanium Traditional Name: (3-carbomethoxy-4-keto-4-methoxy-2-phenyl-but-2-enyl)-diphenyl-sulfonium; triphenyl(sec-butyl)boranuide Formula: C47H47BO4S MolecularWeight: 718.74968

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Descriptors Computed from Structure

Canonical SMILES:

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C(C)CC.COC(=O)C(=C(C[S+](C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

Isomeric SMILES

[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C(C)CC.COC(=O)C(=C(C[S+](C1=CC=CC=C1)C2=CC=CC=C2)C3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C25H23O4S.C22H24B/c1-28-24(26)23(25(27)29-2)22(19-12-6-3-7-13-19)18-30(20-14-8-4-9-15-20)21-16-10-5-11-17-21;1-3-19(2)23(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h3-17H,18H2,1-2H3;4-19H,3H2,1-2H3/q+1;-1