potassium (6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl) sulfate

Systemtic Name: potassium (6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl) sulfate Openeye Name: potassium (6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl) sulfate CAS Name: potassium (6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-yl) sulfate IUPAC Name: potassium (6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl) sulfate Traditional Name: potassium (3-amyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-yl) sulfate Formula: C21H29KO5S MolecularWeight: 432.61526

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3CC(=CCC3C(O2)(C)C)C)C(=C1)OS(=O)(=O)[O-].[K+]

Isomeric SMILES

CCCCCC1=CC2=C(C3CC(=CCC3C(O2)(C)C)C)C(=C1)OS(=O)(=O)[O-].[K+]

InChI

InChI=1S/C21H30O5S.K/c1-5-6-7-8-15-12-18-20(19(13-15)26-27(22,23)24)16-11-14(2)9-10-17(16)21(3,4)25-18;/h9,12-13,16-17H,5-8,10-11H2,1-4H3,(H,22,23,24);/q;+1/p-1