sodium 13-methyl-3-oxidanidylperoxysulfanyloxy-14-oxidanyl-6,7,11,12,15,16-hexahydrocyclopenta[a]phenanthren-17-one

Systemtic Name: sodium 13-methyl-3-oxidanidylperoxysulfanyloxy-14-oxidanyl-6,7,11,12,15,16-hexahydrocyclopenta[a]phenanthren-17-one Openeye Name: sodium 14-hydroxy-13-methyl-3-oxidoperoxysulfanyloxy-6,7,11,12,15,16-hexahydrocyclopenta[a]phenanthren-17-one CAS Name: sodium 14-hydroxy-13-methyl-3-(oxidodioxythio)oxy-6,7,11,12,15,16-hexahydrocyclopenta[a]phenanthren-17-one IUPAC Name: sodium 14-hydroxy-13-methyl-3-oxidoperoxysulfanyloxy-6,7,11,12,15,16-hexahydrocyclopenta[a]phenanthren-17-one Traditional Name: sodium 14-hydroxy-13-methyl-3-(oxidoperoxythio)oxy-6,7,11,12,15,16-hexahydrocyclopenta[a]phenanthren-17-one Formula: C18H19NaO6S MolecularWeight: 386.39463

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1(CCC2=O)O)CCC4=C3C=CC(=C4)OSOO[O-].[Na+]

Isomeric SMILES

CC12CCC3=C(C1(CCC2=O)O)CCC4=C3C=CC(=C4)OSOO[O-].[Na+]

InChI

InChI=1S/C18H20O6S.Na/c1-17-8-6-14-13-4-3-12(22-25-24-23-21)10-11(13)2-5-15(14)18(17,20)9-7-16(17)19;/h3-4,10,20-21H,2,5-9H2,1H3;/q;+1/p-1