disodium 2-(2-methyl-7-oxidanidyl-2-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)ethanoate

Systemtic Name: disodium 2-(2-methyl-7-oxidanidyl-2-oxidanyl-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)ethanoate Openeye Name: disodium 2-(2-hydroxy-2-methyl-7-oxido-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)acetate CAS Name: disodium 2-(2-hydroxy-2-methyl-7-oxido-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)acetate IUPAC Name: disodium 2-(2-hydroxy-2-methyl-7-oxido-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)acetate Traditional Name: disodium 2-(2-hydroxy-2-methyl-7-oxido-3,4,4a,9,10,10a-hexahydro-1H-phenanthren-1-yl)acetate Formula: C17H20Na2O4 MolecularWeight: 334.31784

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCC2C(C1CC(=O)[O-])CCC3=C2C=CC(=C3)[O-])O.[Na+].[Na+]

Isomeric SMILES

CC1(CCC2C(C1CC(=O)[O-])CCC3=C2C=CC(=C3)[O-])O.[Na+].[Na+]

InChI

InChI=1S/C17H22O4.2Na/c1-17(21)7-6-13-12-5-3-11(18)8-10(12)2-4-14(13)15(17)9-16(19)20;;/h3,5,8,13-15,18,21H,2,4,6-7,9H2,1H3,(H,19,20);;/q;2*+1/p-2