3-octan-3-yloxycarbonylbut-3-enoic acid

Systemtic Name: 3-octan-3-yloxycarbonylbut-3-enoic acid Openeye Name: 3-(1-ethylhexoxycarbonyl)but-3-enoic acid CAS Name: 3-[octan-3-yloxy(oxo)methyl]-3-butenoic acid IUPAC Name: 3-octan-3-yloxycarbonylbut-3-enoic acid Traditional Name: 3-(1-ethylhexoxycarbonyl)but-3-enoic acid Formula: C13H22O4 MolecularWeight: 242.31138

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(CC)OC(=O)C(=C)CC(=O)O

Isomeric SMILES

CCCCCC(CC)OC(=O)C(=C)CC(=O)O

InChI

InChI=1S/C13H22O4/c1-4-6-7-8-11(5-2)17-13(16)10(3)9-12(14)15/h11H,3-9H2,1-2H3,(H,14,15)