(4E)-2,2-dimethyl-3-oxidanyl-4-(phenylmethylidene)decanoate

Systemtic Name: (4E)-2,2-dimethyl-3-oxidanyl-4-(phenylmethylidene)decanoate Openeye Name: (4E)-4-benzylidene-3-hydroxy-2,2-dimethyl-decanoate CAS Name: (4E)-3-hydroxy-2,2-dimethyl-4-(phenylmethylene)decanoate IUPAC Name: (4E)-4-benzylidene-3-hydroxy-2,2-dimethyldecanoate Traditional Name: (E)-4-hexyl-3-hydroxy-2,2-dimethyl-5-phenyl-pent-4-enoate Formula: C19H27O3- MolecularWeight: 303.41588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(=CC1=CC=CC=C1)C(C(C)(C)C(=O)[O-])O

Isomeric SMILES

CCCCCC/C(=C\C1=CC=CC=C1)/C(C(C)(C)C(=O)[O-])O

InChI

InChI=1S/C19H28O3/c1-4-5-6-10-13-16(14-15-11-8-7-9-12-15)17(20)19(2,3)18(21)22/h7-9,11-12,14,17,20H,4-6,10,13H2,1-3H3,(H,21,22)/p-1/b16-14+