potassium 13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonate

Systemtic Name: potassium 13-methyl-17-oxidanylidene-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonate Openeye Name: potassium 13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonate CAS Name: potassium 13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonate IUPAC Name: potassium 13-methyl-17-oxo-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonate Traditional Name: potassium 17-keto-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthrene-3-sulfonate Formula: C18H21KO4S MolecularWeight: 372.52024

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)S(=O)(=O)[O-].[K+]

Isomeric SMILES

CC12CCC3C(C1CCC2=O)CCC4=C3C=CC(=C4)S(=O)(=O)[O-].[K+]

InChI

InChI=1S/C18H22O4S.K/c1-18-9-8-14-13-5-3-12(23(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19;/h3,5,10,14-16H,2,4,6-9H2,1H3,(H,20,21,22);/q;+1/p-1