5-(2,3,3,4,4-pentamethylchromen-2-yl)pentyl 4-methylbenzenesulfonate

Systemtic Name: 5-(2,3,3,4,4-pentamethylchromen-2-yl)pentyl 4-methylbenzenesulfonate Openeye Name: 5-(2,3,3,4,4-pentamethylchroman-2-yl)pentyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 5-(2,3,3,4,4-pentamethyl-3,4-dihydro-2H-1-benzopyran-2-yl)pentyl ester IUPAC Name: 5-(2,3,3,4,4-pentamethylchromen-2-yl)pentyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 5-(2,3,3,4,4-pentamethylchroman-2-yl)pentyl ester Formula: C26H36O4S MolecularWeight: 444.62664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2(C(C(C3=CC=CC=C3O2)(C)C)(C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCC2(C(C(C3=CC=CC=C3O2)(C)C)(C)C)C

InChI

InChI=1S/C26H36O4S/c1-20-14-16-21(17-15-20)31(27,28)29-19-11-7-10-18-26(6)25(4,5)24(2,3)22-12-8-9-13-23(22)30-26/h8-9,12-17H,7,10-11,18-19H2,1-6H3