2,4b,8-trimethyl-8-(methylperoxymethyl)-3-phenylsulfanyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene-2-carbaldehyde

Systemtic Name: 2,4b,8-trimethyl-8-(methylperoxymethyl)-3-phenylsulfanyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene-2-carbaldehyde Openeye Name: 2,4b,8-trimethyl-8-(methylperoxymethyl)-3-phenylsulfanyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene-2-carbaldehyde CAS Name: 2,4b,8-trimethyl-8-(methyldioxymethyl)-3-(phenylthio)-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene-2-carboxaldehyde IUPAC Name: 2,4b,8-trimethyl-8-(methylperoxymethyl)-3-phenylsulfanyl-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene-2-carbaldehyde Traditional Name: 2,4b,8-trimethyl-8-(methylperoxymethyl)-3-(phenylthio)-3,5,6,7,8a,9,10,10a-octahydro-1H-phenanthrene-2-carbaldehyde Formula: C26H36O3S MolecularWeight: 428.62724

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCC2(C1CCC3C2=CC(C(C3)(C)C=O)SC4=CC=CC=C4)C)COOC

Isomeric SMILES

CC1(CCCC2(C1CCC3C2=CC(C(C3)(C)C=O)SC4=CC=CC=C4)C)COOC

InChI

InChI=1S/C26H36O3S/c1-24(18-29-28-4)13-8-14-26(3)21-15-23(30-20-9-6-5-7-10-20)25(2,17-27)16-19(21)11-12-22(24)26/h5-7,9-10,15,17,19,22-23H,8,11-14,16,18H2,1-4H3