4b-ethyl-6,7-bis(oxidanyl)-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carbonitrile

Systemtic Name: 4b-ethyl-6,7-bis(oxidanyl)-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carbonitrile Openeye Name: 4b-ethyl-6,7-dihydroxy-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carbonitrile CAS Name: 4b-ethyl-6,7-dihydroxy-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carbonitrile IUPAC Name: 4b-ethyl-6,7-dihydroxy-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carbonitrile Traditional Name: 4b-ethyl-6,7-dihydroxy-7-prop-1-ynyl-5,6,8,8a,9,10-hexahydrophenanthrene-2-carbonitrile Formula: C20H23NO2 MolecularWeight: 309.40212

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CC(C(CC1CCC3=C2C=CC(=C3)C#N)(C#CC)O)O

Isomeric SMILES

CCC12CC(C(CC1CCC3=C2C=CC(=C3)C#N)(C#CC)O)O

InChI

InChI=1S/C20H23NO2/c1-3-9-20(23)11-16-7-6-15-10-14(13-21)5-8-17(15)19(16,4-2)12-18(20)22/h5,8,10,16,18,22-23H,4,6-7,11-12H2,1-2H3