(4S,7aR)-4-tert-butylperoxy-1-(4-methoxyphenyl)-7a-methyl-4,5,6,7-tetrahydroindene

Systemtic Name: (4S,7aR)-4-tert-butylperoxy-1-(4-methoxyphenyl)-7a-methyl-4,5,6,7-tetrahydroindene Openeye Name: (4S,7aR)-4-tert-butylperoxy-1-(4-methoxyphenyl)-7a-methyl-4,5,6,7-tetrahydroindene CAS Name: (4S,7aR)-4-tert-butyldioxy-1-(4-methoxyphenyl)-7a-methyl-4,5,6,7-tetrahydroindene IUPAC Name: (4S,7aR)-4-tert-butylperoxy-1-(4-methoxyphenyl)-7a-methyl-4,5,6,7-tetrahydroindene Traditional Name: (4S,7aR)-4-tert-butylperoxy-1-(4-methoxyphenyl)-7a-methyl-4,5,6,7-tetrahydroindene Formula: C21H28O3 MolecularWeight: 328.44522

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Descriptors Computed from Structure

Canonical SMILES:

CC12CCCC(C1=CC=C2C3=CC=C(C=C3)OC)OOC(C)(C)C

Isomeric SMILES

C[C@]12CCC[C@@H](C1=CC=C2C3=CC=C(C=C3)OC)OOC(C)(C)C

InChI

InChI=1S/C21H28O3/c1-20(2,3)24-23-19-7-6-14-21(4)17(12-13-18(19)21)15-8-10-16(22-5)11-9-15/h8-13,19H,6-7,14H2,1-5H3/t19-,21+/m0/s1