2-chloranyl-1-ethynyl-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysene-1,8-diol

Systemtic Name: 2-chloranyl-1-ethynyl-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysene-1,8-diol Openeye Name: 2-chloro-1-ethynyl-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysene-1,8-diol CAS Name: 2-chloro-1-ethynyl-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysene-1,8-diol IUPAC Name: 2-chloro-1-ethynyl-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysene-1,8-diol Traditional Name: 2-chloro-1-ethynyl-12a-methyl-4,4a,4b,5,6,10b,11,12-octahydrochrysene-1,8-diol Formula: C21H23ClO2 MolecularWeight: 342.85912

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CC=C(C2(C#C)O)Cl)CCC4=C3C=CC(=C4)O

Isomeric SMILES

CC12CCC3C(C1CC=C(C2(C#C)O)Cl)CCC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H23ClO2/c1-3-21(24)19(22)9-8-18-17-6-4-13-12-14(23)5-7-15(13)16(17)10-11-20(18,21)2/h1,5,7,9,12,16-18,23-24H,4,6,8,10-11H2,2H3