2-methylidenehexanal; 2-methylidene-4-(oxiran-2-yl)butanoic acid; 8-methyl-2-methylidene-nonanal

Systemtic Name: 2-methylidenehexanal; 2-methylidene-4-(oxiran-2-yl)butanoic acid; 8-methyl-2-methylidene-nonanal Openeye Name: 2-methylenehexanal; 2-methylene-4-(oxiran-2-yl)butanoic acid; 8-methyl-2-methylene-nonanal CAS Name: 2-methylenehexanal; 2-methylene-4-(2-oxiranyl)butanoic acid; 8-methyl-2-methylenenonanal IUPAC Name: 2-methylidenehexanal; 2-methylidene-4-(oxiran-2-yl)butanoic acid; 8-methyl-2-methylidenenonanal Traditional Name: 2-butylacrolein; 2-(6-methylheptyl)acrolein; 2-[2-(oxiran-2-yl)ethyl]acrylic acid Formula: C25H42O5 MolecularWeight: 422.59798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(=C)C=O.CC(C)CCCCCC(=C)C=O.C=C(CCC1CO1)C(=O)O

Isomeric SMILES

CCCCC(=C)C=O.CC(C)CCCCCC(=C)C=O.C=C(CCC1CO1)C(=O)O

InChI

InChI=1S/C11H20O.C7H10O3.C7H12O/c1-10(2)7-5-4-6-8-11(3)9-12;1-5(7(8)9)2-3-6-4-10-6;1-3-4-5-7(2)6-8/h9-10H,3-8H2,1-2H3;6H,1-4H2,(H,8,9);6H,2-5H2,1H3