tert-butyl 2-[2-[(1S,2R,3aS,7aS)-1-[(Z)-2-chloranyl-3-oxidanylidene-oct-1-enyl]-2-oxidanyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]ethanoate

Systemtic Name: tert-butyl 2-[2-[(1S,2R,3aS,7aS)-1-[(Z)-2-chloranyl-3-oxidanylidene-oct-1-enyl]-2-oxidanyl-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]ethanoate Openeye Name: tert-butyl 2-[2-[(1S,2R,3aS,7aS)-1-[(Z)-2-chloro-3-oxo-oct-1-enyl]-2-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetate CAS Name: 2-[2-[(1S,2R,3aS,7aS)-1-[(Z)-2-chloro-3-oxooct-1-enyl]-2-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[2-[(1S,2R,3aS,7aS)-1-[(Z)-2-chloro-3-oxooct-1-enyl]-2-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetate Traditional Name: 2-[2-[(1S,2R,3aS,7aS)-1-[(Z)-2-chloro-3-keto-oct-1-enyl]-2-hydroxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid tert-butyl ester Formula: C25H39ClO5 MolecularWeight: 455.02716

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(=CC1C2CCC(=CC2CC1O)CCOCC(=O)OC(C)(C)C)Cl

Isomeric SMILES

CCCCCC(=O)/C(=C/[C@@H]1[C@H]2CCC(=C[C@H]2C[C@H]1O)CCOCC(=O)OC(C)(C)C)/Cl

InChI

InChI=1S/C25H39ClO5/c1-5-6-7-8-22(27)21(26)15-20-19-10-9-17(13-18(19)14-23(20)28)11-12-30-16-24(29)31-25(2,3)4/h13,15,18-20,23,28H,5-12,14,16H2,1-4H3/b21-15-/t18-,19-,20+,23+/m0/s1