(7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylethanoate; 4-methylbenzenesulfonic acid

Systemtic Name: (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylethanoate; 4-methylbenzenesulfonic acid Openeye Name: (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholinoacetate; 4-methylbenzenesulfonic acid CAS Name: 4-methylbenzenesulfonic acid; 2-(4-morpholinyl)acetic acid (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c][1]benzopyran-9-yl) ester IUPAC Name: (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) 2-morpholin-4-ylacetate; 4-methylbenzenesulfonic acid Traditional Name: 2-morpholinoacetic acid (7-hexyl-4,4-dimethyl-2,3-dihydro-1H-cyclopenta[c]chromen-9-yl) ester; tosylic acid Formula: C33H45NO7S MolecularWeight: 599.7779

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC2=C(C3=C(CCC3)C(O2)(C)C)C(=C1)OC(=O)CN4CCOCC4.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCCC1=CC2=C(C3=C(CCC3)C(O2)(C)C)C(=C1)OC(=O)CN4CCOCC4.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C26H37NO4.C7H8O3S/c1-4-5-6-7-9-19-16-22(30-24(28)18-27-12-14-29-15-13-27)25-20-10-8-11-21(20)26(2,3)31-23(25)17-19;1-6-2-4-7(5-3-6)11(8,9)10/h16-17H,4-15,18H2,1-3H3;2-5H,1H3,(H,8,9,10)