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8,8-diphenyloctyl 4-methylbenzenesulfonate

8,8-diphenyloctyl 4-methylbenzenesulfonate

Systemtic Name:8,8-diphenyloctyl 4-methylbenzenesulfonate
Openeye Name:8,8-diphenyloctyl 4-methylbenzenesulfonate
CAS Name:4-methylbenzenesulfonic acid 8,8-diphenyloctyl ester
IUPAC Name:8,8-diphenyloctyl 4-methylbenzenesulfonate
Traditional Name:4-methylbenzenesulfonic acid 8,8-diphenyloctyl ester
Formula: C27H32O3S
MolecularWeight: 436.60618
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC(C2=CC=CC=C2)C3=CC=CC=C3


Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCCCCCCCC(C2=CC=CC=C2)C3=CC=CC=C3


InChI

InChI=1S/C27H32O3S/c1-23-18-20-26(21-19-23)31(28,29)30-22-12-4-2-3-11-17-27(24-13-7-5-8-14-24)25-15-9-6-10-16-25/h5-10,13-16,18-21,27H,2-4,11-12,17,22H2,1H3


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