methyl 7-[2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate; propan-1-ol

Systemtic Name: methyl 7-[2-[(E)-4-methyl-4-oxidanyl-oct-1-enyl]-3-oxidanyl-5-oxidanylidene-cyclopentyl]heptanoate; propan-1-ol Openeye Name: methyl 7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-oxo-cyclopentyl]heptanoate; propan-1-ol CAS Name: 7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoic acid methyl ester; 1-propanol IUPAC Name: methyl 7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyloct-1-enyl]-5-oxocyclopentyl]heptanoate; propan-1-ol Traditional Name: 7-[3-hydroxy-2-[(E)-4-hydroxy-4-methyl-oct-1-enyl]-5-keto-cyclopentyl]enanthic acid methyl ester; propan-1-ol Formula: C25H46O6 MolecularWeight: 442.62914

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C)(CC=CC1C(CC(=O)C1CCCCCCC(=O)OC)O)O.CCCO

Isomeric SMILES

CCCCC(C)(C/C=C/C1C(CC(=O)C1CCCCCCC(=O)OC)O)O.CCCO

InChI

InChI=1S/C22H38O5.C3H8O/c1-4-5-14-22(2,26)15-10-12-18-17(19(23)16-20(18)24)11-8-6-7-9-13-21(25)27-3;1-2-3-4/h10,12,17-18,20,24,26H,4-9,11,13-16H2,1-3H3;4H,2-3H2,1H3/b12-10+;