sodium (13-methyl-7-oxidanyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) sulfate

Systemtic Name: sodium (13-methyl-7-oxidanyl-17-oxidanylidene-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) sulfate Openeye Name: sodium (7-hydroxy-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) sulfate CAS Name: sodium (7-hydroxy-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) sulfate IUPAC Name: sodium (7-hydroxy-13-methyl-17-oxo-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) sulfate Traditional Name: sodium (7-hydroxy-17-keto-13-methyl-12,14,15,16-tetrahydro-11H-cyclopenta[a]phenanthren-3-yl) sulfate Formula: C18H17NaO6S MolecularWeight: 384.37875

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCC3=C4C=CC(=CC4=CC(=C3C1CCC2=O)O)OS(=O)(=O)[O-].[Na+]

Isomeric SMILES

CC12CCC3=C4C=CC(=CC4=CC(=C3C1CCC2=O)O)OS(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C18H18O6S.Na/c1-18-7-6-13-12-3-2-11(24-25(21,22)23)8-10(12)9-15(19)17(13)14(18)4-5-16(18)20;/h2-3,8-9,14,19H,4-7H2,1H3,(H,21,22,23);/q;+1/p-1