(4E)-2-methyl-3-oxidanyl-4-(phenylmethylidene)-2-propyl-decanoate

Systemtic Name: (4E)-2-methyl-3-oxidanyl-4-(phenylmethylidene)-2-propyl-decanoate Openeye Name: (4E)-4-benzylidene-3-hydroxy-2-methyl-2-propyl-decanoate CAS Name: (4E)-3-hydroxy-2-methyl-4-(phenylmethylene)-2-propyldecanoate IUPAC Name: (4E)-4-benzylidene-3-hydroxy-2-methyl-2-propyldecanoate Traditional Name: (E)-4-hexyl-3-hydroxy-2-methyl-5-phenyl-2-propyl-pent-4-enoate Formula: C21H31O3- MolecularWeight: 331.46904

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-4-6-7-11-14-18(16-17-12-9-8-10-13-17)19(22)21(3,15-5-2)20(23)24/h8-10,12-13,16,19,22H,4-7,11,14-15H2,1-3H3,(H,23,24)/p-1/b18-16+