(13-methyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate

Systemtic Name: (13-methyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate Openeye Name: (13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate CAS Name: sulfuric acid (13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) ester IUPAC Name: (13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) hydrogen sulfate Traditional Name: sulfuric acid (17-keto-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) ester Formula: C18H18O5S MolecularWeight: 346.39752

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)OS(=O)(=O)O

Isomeric SMILES

CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)OS(=O)(=O)O

InChI

InChI=1S/C18H18O5S/c1-18-9-8-14-13-5-3-12(23-24(20,21)22)10-11(13)2-4-15(14)16(18)6-7-17(18)19/h2-5,10,16H,6-9H2,1H3,(H,20,21,22)