sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-tris(oxidanyl)phenyl] sulfate

Systemtic Name: sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-tris(oxidanyl)phenyl] sulfate Openeye Name: sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxy-phenyl] sulfate CAS Name: sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxyphenyl] sulfate IUPAC Name: sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxyphenyl] sulfate Traditional Name: sodium [3-[[(8aS)-2,5,5,8a-tetramethyl-1,4,4a,6,7,8-hexahydronaphthalen-1-yl]methyl]-2,4,5-trihydroxy-phenyl] sulfate Formula: C21H29NaO7S MolecularWeight: 448.50553

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(CCCC2(C1CC3=C(C(=CC(=C3O)OS(=O)(=O)[O-])O)O)C)(C)C.[Na+]

Isomeric SMILES

CC1=CCC2[C@@](C1CC3=C(C(=CC(=C3O)OS(=O)(=O)[O-])O)O)(CCCC2(C)C)C.[Na+]

InChI

InChI=1S/C21H30O7S.Na/c1-12-6-7-17-20(2,3)8-5-9-21(17,4)14(12)10-13-18(23)15(22)11-16(19(13)24)28-29(25,26)27;/h6,11,14,17,22-24H,5,7-10H2,1-4H3,(H,25,26,27);/q;+1/p-1/t14?,17?,21-;/m1./s1