(E)-4,4,4-tri(cyclodecyl)-3-(1-methoxyethoxycarbonyl)-2-methyl-but-2-enoic acid

Systemtic Name: (E)-4,4,4-tri(cyclodecyl)-3-(1-methoxyethoxycarbonyl)-2-methyl-but-2-enoic acid Openeye Name: (E)-4,4,4-tri(cyclodecyl)-3-(1-methoxyethoxycarbonyl)-2-methyl-but-2-enoic acid CAS Name: (E)-4,4,4-tri(cyclodecyl)-3-[1-methoxyethoxy(oxo)methyl]-2-methyl-2-butenoic acid IUPAC Name: (E)-4,4,4-tri(cyclodecyl)-3-(1-methoxyethoxycarbonyl)-2-methylbut-2-enoic acid Traditional Name: (E)-4,4,4-tri(cyclodecyl)-3-(1-methoxyethoxycarbonyl)-2-methyl-but-2-enoic acid Formula: C39H68O5 MolecularWeight: 616.95422

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Descriptors Computed from Structure

Canonical SMILES:

CC(OC)OC(=O)C(=C(C)C(=O)O)C(C1CCCCCCCCC1)(C2CCCCCCCCC2)C3CCCCCCCCC3

Isomeric SMILES

CC(OC)OC(=O)/C(=C(\C)/C(=O)O)/C(C1CCCCCCCCC1)(C2CCCCCCCCC2)C3CCCCCCCCC3

InChI

InChI=1S/C39H68O5/c1-31(37(40)41)36(38(42)44-32(2)43-3)39(33-25-19-13-7-4-8-14-20-26-33,34-27-21-15-9-5-10-16-22-28-34)35-29-23-17-11-6-12-18-24-30-35/h32-35H,4-30H2,1-3H3,(H,40,41)/b36-31-