(Z)-2-(2-ethylhexyl)-3-(7-methyloctyl)but-2-enedioic acid

Systemtic Name: (Z)-2-(2-ethylhexyl)-3-(7-methyloctyl)but-2-enedioic acid Openeye Name: (Z)-2-(2-ethylhexyl)-3-(7-methyloctyl)but-2-enedioic acid CAS Name: (Z)-2-(2-ethylhexyl)-3-(7-methyloctyl)-2-butenedioic acid IUPAC Name: (Z)-2-(2-ethylhexyl)-3-(7-methyloctyl)but-2-enedioic acid Traditional Name: (Z)-2-(2-ethylhexyl)-3-(7-methyloctyl)but-2-enedioic acid Formula: C21H38O4 MolecularWeight: 354.52402

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(=C(CCCCCCC(C)C)C(=O)O)C(=O)O

Isomeric SMILES

CCCCC(CC)C/C(=C(\CCCCCCC(C)C)/C(=O)O)/C(=O)O

InChI

InChI=1S/C21H38O4/c1-5-7-13-17(6-2)15-19(21(24)25)18(20(22)23)14-11-9-8-10-12-16(3)4/h16-17H,5-15H2,1-4H3,(H,22,23)(H,24,25)/b19-18-