(6,6-dimethyl-1-oxidanyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-9-yl)methylsulfamic acid

Systemtic Name: (6,6-dimethyl-1-oxidanyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-9-yl)methylsulfamic acid Openeye Name: (1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-9-yl)methylsulfamic acid CAS Name: (1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-9-yl)methylsulfamic acid IUPAC Name: (1-hydroxy-6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-9-yl)methylsulfamic acid Traditional Name: (3-amyl-1-hydroxy-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-9-yl)methylsulfamic acid Formula: C21H31NO5S MolecularWeight: 409.53954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)CNS(=O)(=O)O)C(=C1)O

Isomeric SMILES

CCCCCC1=CC2=C(C3C=C(CCC3C(O2)(C)C)CNS(=O)(=O)O)C(=C1)O

InChI

InChI=1S/C21H31NO5S/c1-4-5-6-7-14-11-18(23)20-16-10-15(13-22-28(24,25)26)8-9-17(16)21(2,3)27-19(20)12-14/h10-12,16-17,22-23H,4-9,13H2,1-3H3,(H,24,25,26)