4-methylbenzenesulfonic acid; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol

Systemtic Name: 4-methylbenzenesulfonic acid; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol Openeye Name: 4-methylbenzenesulfonic acid; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol CAS Name: 4-methylbenzenesulfonic acid; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-ol IUPAC Name: 4-methylbenzenesulfonic acid; 6,6,9-trimethyl-3-pentyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol Traditional Name: 3-amyl-6,6,9-trimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol; tosylic acid Formula: C28H38O5S MolecularWeight: 486.66332

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3CC(=CCC3C(O2)(C)C)C)C(=C1)O.CC1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

CCCCCC1=CC2=C(C3CC(=CCC3C(O2)(C)C)C)C(=C1)O.CC1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C21H30O2.C7H8O3S/c1-5-6-7-8-15-12-18(22)20-16-11-14(2)9-10-17(16)21(3,4)23-19(20)13-15;1-6-2-4-7(5-3-6)11(8,9)10/h9,12-13,16-17,22H,5-8,10-11H2,1-4H3;2-5H,1H3,(H,8,9,10)