methyl 3-methylsulfonyloxy-7-phenyl-2-propyl-heptanoate

Systemtic Name: methyl 3-methylsulfonyloxy-7-phenyl-2-propyl-heptanoate Openeye Name: methyl 3-methylsulfonyloxy-7-phenyl-2-propyl-heptanoate CAS Name: 3-methylsulfonyloxy-7-phenyl-2-propylheptanoic acid methyl ester IUPAC Name: methyl 3-methylsulfonyloxy-7-phenyl-2-propylheptanoate Traditional Name: 3-methylsulfonyloxy-7-phenyl-2-propyl-enanthic acid methyl ester Formula: C18H28O5S MolecularWeight: 356.47692

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C(CCCCC1=CC=CC=C1)OS(=O)(=O)C)C(=O)OC

Isomeric SMILES

CCCC(C(CCCCC1=CC=CC=C1)OS(=O)(=O)C)C(=O)OC

InChI

InChI=1S/C18H28O5S/c1-4-10-16(18(19)22-2)17(23-24(3,20)21)14-9-8-13-15-11-6-5-7-12-15/h5-7,11-12,16-17H,4,8-10,13-14H2,1-3H3