phenyl [[2-(2-hydroxyphenyl)-3-oxidanylidene-1-phenyl-hexyl]amino]-oxidanylidene-methanesulfonate

Systemtic Name: phenyl [[2-(2-hydroxyphenyl)-3-oxidanylidene-1-phenyl-hexyl]amino]-oxidanylidene-methanesulfonate Openeye Name: phenyl [[2-(2-hydroxyphenyl)-3-oxo-1-phenyl-hexyl]amino]-oxo-methanesulfonate CAS Name: [[2-(2-hydroxyphenyl)-3-oxo-1-phenylhexyl]amino]-oxomethanesulfonic acid phenyl ester IUPAC Name: phenyl [[2-(2-hydroxyphenyl)-3-oxo-1-phenylhexyl]amino]-oxomethanesulfonate Traditional Name: [[2-(2-hydroxyphenyl)-3-keto-1-phenyl-hexyl]amino]-keto-methanesulfonic acid phenyl ester Formula: C25H25NO6S MolecularWeight: 467.5341

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(C1=CC=CC=C1O)C(C2=CC=CC=C2)NC(=O)S(=O)(=O)OC3=CC=CC=C3

Isomeric SMILES

CCCC(=O)C(C1=CC=CC=C1O)C(C2=CC=CC=C2)NC(=O)S(=O)(=O)OC3=CC=CC=C3

InChI

InChI=1S/C25H25NO6S/c1-2-11-22(28)23(20-16-9-10-17-21(20)27)24(18-12-5-3-6-13-18)26-25(29)33(30,31)32-19-14-7-4-8-15-19/h3-10,12-17,23-24,27H,2,11H2,1H3,(H,26,29)