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

Systemtic Name: (4E)-2,2-diethyl-3-oxidanyl-4-(phenylmethylidene)decanoate Openeye Name: (4E)-4-benzylidene-2,2-diethyl-3-hydroxy-decanoate CAS Name: (4E)-2,2-diethyl-3-hydroxy-4-(phenylmethylene)decanoate IUPAC Name: (4E)-4-benzylidene-2,2-diethyl-3-hydroxydecanoate Traditional Name: (E)-2,2-diethyl-4-hexyl-3-hydroxy-5-phenyl-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(CC)(CC)C(=O)[O-])O

Isomeric SMILES

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

InChI

InChI=1S/C21H32O3/c1-4-7-8-12-15-18(16-17-13-10-9-11-14-17)19(22)21(5-2,6-3)20(23)24/h9-11,13-14,16,19,22H,4-8,12,15H2,1-3H3,(H,23,24)/p-1/b18-16+