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

Systemtic Name: tert-butyl 2-[2-[(1S,2R,3aS,7aS)-1-(2-chloranyl-1-oxidanyl-3-oxidanylidene-octyl)-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]ethanoate Openeye Name: tert-butyl 2-[2-[(1S,2R,3aS,7aS)-1-(2-chloro-1-hydroxy-3-oxo-octyl)-2-tetrahydropyran-2-yloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetate CAS Name: 2-[2-[(1S,2R,3aS,7aS)-1-(2-chloro-1-hydroxy-3-oxooctyl)-2-(2-oxanyloxy)-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-(2-chloro-1-hydroxy-3-oxooctyl)-2-(oxan-2-yloxy)-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetate Traditional Name: 2-[2-[(1S,2R,3aS,7aS)-1-(2-chloro-1-hydroxy-3-keto-octyl)-2-tetrahydropyran-2-yloxy-2,3,3a,6,7,7a-hexahydro-1H-inden-5-yl]ethoxy]acetic acid tert-butyl ester Formula: C30H49ClO7 MolecularWeight: 557.15886

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)C(C(C1C2CCC(=CC2CC1OC3CCCCO3)CCOCC(=O)OC(C)(C)C)O)Cl

Isomeric SMILES

CCCCCC(=O)C(C([C@@H]1[C@H]2CCC(=C[C@H]2C[C@H]1OC3CCCCO3)CCOCC(=O)OC(C)(C)C)O)Cl

InChI

InChI=1S/C30H49ClO7/c1-5-6-7-10-23(32)28(31)29(34)27-22-13-12-20(14-16-35-19-25(33)38-30(2,3)4)17-21(22)18-24(27)37-26-11-8-9-15-36-26/h17,21-22,24,26-29,34H,5-16,18-19H2,1-4H3/t21-,22-,24+,26?,27+,28?,29?/m0/s1