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methyl 7-(4-phenylmethoxyphenyl)heptane-1-sulfonate

methyl 7-(4-phenylmethoxyphenyl)heptane-1-sulfonate

Systemtic Name:methyl 7-(4-phenylmethoxyphenyl)heptane-1-sulfonate
Openeye Name:methyl 7-(4-benzyloxyphenyl)heptane-1-sulfonate
CAS Name:7-(4-phenylmethoxyphenyl)-1-heptanesulfonic acid
IUPAC Name:methyl 7-(4-phenylmethoxyphenyl)heptane-1-sulfonate
Traditional Name:7-(4-benzoxyphenyl)heptane-1-sulfonic acid methyl ester
Formula: C21H28O4S
MolecularWeight: 376.50962
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Descriptors Computed from Structure

Canonical SMILES:

COS(=O)(=O)CCCCCCCC1=CC=C(C=C1)OCC2=CC=CC=C2


Isomeric SMILES

COS(=O)(=O)CCCCCCCC1=CC=C(C=C1)OCC2=CC=CC=C2


InChI

InChI=1S/C21H28O4S/c1-24-26(22,23)17-9-4-2-3-6-10-19-13-15-21(16-14-19)25-18-20-11-7-5-8-12-20/h5,7-8,11-16H,2-4,6,9-10,17-18H2,1H3


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