3-[3-(4-methylsulfonylphenoxy)propoxy]-5-octadecoxy-benzoic acid

Systemtic Name: 3-[3-(4-methylsulfonylphenoxy)propoxy]-5-octadecoxy-benzoic acid Openeye Name: 3-[3-(4-methylsulfonylphenoxy)propoxy]-5-octadecoxy-benzoic acid CAS Name: 3-[3-(4-methylsulfonylphenoxy)propoxy]-5-octadecoxybenzoic acid IUPAC Name: 3-[3-(4-methylsulfonylphenoxy)propoxy]-5-octadecoxybenzoic acid Traditional Name: 3-[3-(4-mesylphenoxy)propoxy]-5-stearyloxy-benzoic acid Formula: C35H54O7S MolecularWeight: 618.86406

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCOC2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)C(=O)O)OCCCOC2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C35H54O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-24-41-32-27-30(35(36)37)28-33(29-32)42-26-19-25-40-31-20-22-34(23-21-31)43(2,38)39/h20-23,27-29H,3-19,24-26H2,1-2H3,(H,36,37)