3-(10a-methyl-2,3,4,4a,9,10-hexahydro-1H-phenanthren-1-yl)propyl 4-methylbenzenesulfonate

Systemtic Name: 3-(10a-methyl-2,3,4,4a,9,10-hexahydro-1H-phenanthren-1-yl)propyl 4-methylbenzenesulfonate Openeye Name: 3-(10a-methyl-2,3,4,4a,9,10-hexahydro-1H-phenanthren-1-yl)propyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid 3-(10a-methyl-2,3,4,4a,9,10-hexahydro-1H-phenanthren-1-yl)propyl ester IUPAC Name: 3-(10a-methyl-2,3,4,4a,9,10-hexahydro-1H-phenanthren-1-yl)propyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid 3-(10a-methyl-2,3,4,4a,9,10-hexahydro-1H-phenanthren-1-yl)propyl ester Formula: C25H32O3S MolecularWeight: 412.58478

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CCCC3C2(CCC4=CC=CC=C34)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCC2CCCC3C2(CCC4=CC=CC=C34)C

InChI

InChI=1S/C25H32O3S/c1-19-12-14-22(15-13-19)29(26,27)28-18-6-9-21-8-5-11-24-23-10-4-3-7-20(23)16-17-25(21,24)2/h3-4,7,10,12-15,21,24H,5-6,8-9,11,16-18H2,1-2H3