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

Systemtic Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 4-methoxybenzenesulfonate Openeye Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 4-methoxybenzenesulfonate CAS Name: 4-methoxybenzenesulfonic 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-methoxybenzenesulfonate Traditional Name: 4-methoxybenzenesulfonic acid (3-amyl-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) ester Formula: C27H34O5S MolecularWeight: 470.62086

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H34O5S/c1-5-6-7-10-19-17-24-26(22-11-8-9-12-23(22)27(2,3)31-24)25(18-19)32-33(28,29)21-15-13-20(30-4)14-16-21/h8,11,13-18,22-23H,5-7,9-10,12H2,1-4H3