(8,8-dimethyl-4-oxidanyl-5-oxidanylidene-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) hexadecanoate

Systemtic Name: (8,8-dimethyl-4-oxidanyl-5-oxidanylidene-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) hexadecanoate Openeye Name: (4-hydroxy-2-isopropyl-8,8-dimethyl-5-oxo-6,7-dihydrophenanthren-3-yl) hexadecanoate CAS Name: hexadecanoic acid (4-hydroxy-8,8-dimethyl-5-oxo-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) ester IUPAC Name: (4-hydroxy-8,8-dimethyl-5-oxo-2-propan-2-yl-6,7-dihydrophenanthren-3-yl) hexadecanoate Traditional Name: palmitic acid (4-hydroxy-2-isopropyl-5-keto-8,8-dimethyl-6,7-dihydrophenanthren-3-yl) ester Formula: C35H52O4 MolecularWeight: 536.78498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2C=CC3=C(C2=C1O)C(=O)CCC3(C)C)C(C)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=C(C=C2C=CC3=C(C2=C1O)C(=O)CCC3(C)C)C(C)C

InChI

InChI=1S/C35H52O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-30(37)39-34-27(25(2)3)24-26-20-21-28-32(31(26)33(34)38)29(36)22-23-35(28,4)5/h20-21,24-25,38H,6-19,22-23H2,1-5H3