2-acetyloxyethyl 4-[(E)-6-(4-butylphenyl)-2-diphenylphosphoryloxy-6-oxidanylidene-hex-2-enoyl]benzoate

Systemtic Name: 2-acetyloxyethyl 4-[(E)-6-(4-butylphenyl)-2-diphenylphosphoryloxy-6-oxidanylidene-hex-2-enoyl]benzoate Openeye Name: 2-acetoxyethyl 4-[(E)-6-(4-butylphenyl)-2-diphenylphosphoryloxy-6-oxo-hex-2-enoyl]benzoate CAS Name: 4-[(E)-6-(4-butylphenyl)-2-diphenylphosphoryloxy-1,6-dioxohex-2-enyl]benzoic acid 2-acetyloxyethyl ester IUPAC Name: 2-acetyloxyethyl 4-[(E)-6-(4-butylphenyl)-2-diphenylphosphoryloxy-6-oxohex-2-enoyl]benzoate Traditional Name: 4-[(E)-6-(4-butylphenyl)-2-diphenylphosphoryloxy-6-keto-hex-2-enoyl]benzoic acid 2-acetoxyethyl ester Formula: C39H39O8P MolecularWeight: 666.695921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CCC=C(C(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C)OP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CC/C=C(\C(=O)C2=CC=C(C=C2)C(=O)OCCOC(=O)C)/OP(=O)(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C39H39O8P/c1-3-4-12-30-19-21-31(22-20-30)36(41)17-11-18-37(47-48(44,34-13-7-5-8-14-34)35-15-9-6-10-16-35)38(42)32-23-25-33(26-24-32)39(43)46-28-27-45-29(2)40/h5-10,13-16,18-26H,3-4,11-12,17,27-28H2,1-2H3/b37-18+