propan-2-yl (E)-2-oxidanylidene-3-(3-oxidanylidenebutanoyl)-3-propan-2-yl-henicos-12-enoate

Systemtic Name: propan-2-yl (E)-2-oxidanylidene-3-(3-oxidanylidenebutanoyl)-3-propan-2-yl-henicos-12-enoate Openeye Name: isopropyl (E)-3-isopropyl-2-oxo-3-(3-oxobutanoyl)henicos-12-enoate CAS Name: (E)-3-(1,3-dioxobutyl)-2-oxo-3-propan-2-yl-12-heneicosenoic acid propan-2-yl ester IUPAC Name: propan-2-yl (E)-2-oxo-3-(3-oxobutanoyl)-3-propan-2-ylhenicos-12-enoate Traditional Name: (E)-3-acetoacetyl-3-isopropyl-2-keto-heneicos-12-enoic acid isopropyl ester Formula: C31H54O5 MolecularWeight: 506.75746

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCCC(C(C)C)(C(=O)CC(=O)C)C(=O)C(=O)OC(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCCC(C(C)C)(C(=O)CC(=O)C)C(=O)C(=O)OC(C)C

InChI

InChI=1S/C31H54O5/c1-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-31(25(2)3,28(33)24-27(6)32)29(34)30(35)36-26(4)5/h14-15,25-26H,7-13,16-24H2,1-6H3/b15-14+