[6-decoxy-2-oxidanyl-3-(phenylcarbonyl)phenyl]methyl 2-ethylhexanoate

Systemtic Name: [6-decoxy-2-oxidanyl-3-(phenylcarbonyl)phenyl]methyl 2-ethylhexanoate Openeye Name: (3-benzoyl-6-decoxy-2-hydroxy-phenyl)methyl 2-ethylhexanoate CAS Name: 2-ethylhexanoic acid (3-benzoyl-6-decoxy-2-hydroxyphenyl)methyl ester IUPAC Name: (3-benzoyl-6-decoxy-2-hydroxyphenyl)methyl 2-ethylhexanoate Traditional Name: 2-ethylhexanoic acid (3-benzoyl-6-decoxy-2-hydroxy-benzyl) ester Formula: C32H46O5 MolecularWeight: 510.70464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)O)COC(=O)C(CC)CCCC

Isomeric SMILES

CCCCCCCCCCOC1=C(C(=C(C=C1)C(=O)C2=CC=CC=C2)O)COC(=O)C(CC)CCCC

InChI

InChI=1S/C32H46O5/c1-4-7-9-10-11-12-13-17-23-36-29-22-21-27(30(33)26-19-15-14-16-20-26)31(34)28(29)24-37-32(35)25(6-3)18-8-5-2/h14-16,19-22,25,34H,4-13,17-18,23-24H2,1-3H3