(Z)-2-(2-octan-2-ylphenyl)but-2-enoic acid

Systemtic Name: (Z)-2-(2-octan-2-ylphenyl)but-2-enoic acid Openeye Name: (Z)-2-[2-(1-methylheptyl)phenyl]but-2-enoic acid CAS Name: (Z)-2-(2-octan-2-ylphenyl)-2-butenoic acid IUPAC Name: (Z)-2-(2-octan-2-ylphenyl)but-2-enoic acid Traditional Name: (Z)-2-[2-(1-methylheptyl)phenyl]but-2-enoic acid Formula: C18H26O2 MolecularWeight: 274.39784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=CC=CC=C1C(=CC)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=CC=CC=C1/C(=C/C)/C(=O)O

InChI

InChI=1S/C18H26O2/c1-4-6-7-8-11-14(3)16-12-9-10-13-17(16)15(5-2)18(19)20/h5,9-10,12-14H,4,6-8,11H2,1-3H3,(H,19,20)/b15-5-