(6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 4-methylbenzenesulfonate

Systemtic Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 4-methylbenzenesulfonate Openeye Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-1-yl) ester IUPAC Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-amyl-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) ester Formula: C27H34O4S MolecularWeight: 454.62146

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3C=CCCC3C(O2)(C)C)C(=C1)OS(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCCCCC1=CC2=C(C3C=CCCC3C(O2)(C)C)C(=C1)OS(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H34O4S/c1-5-6-7-10-20-17-24-26(22-11-8-9-12-23(22)27(3,4)30-24)25(18-20)31-32(28,29)21-15-13-19(2)14-16-21/h8,11,13-18,22-23H,5-7,9-10,12H2,1-4H3