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

Systemtic Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) benzenesulfonate Openeye Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) benzenesulfonate CAS Name: benzenesulfonic 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) benzenesulfonate Traditional Name: benzenesulfonic acid (3-amyl-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) ester Formula: C26H32O4S MolecularWeight: 440.59488

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C26H32O4S/c1-4-5-7-12-19-17-23-25(21-15-10-11-16-22(21)26(2,3)29-23)24(18-19)30-31(27,28)20-13-8-6-9-14-20/h6,8-10,13-15,17-18,21-22H,4-5,7,11-12,16H2,1-3H3