2-[(4-methoxyphenyl)sulfonylmethyl]-3-octylsulfonyl-propanoic acid

Systemtic Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-octylsulfonyl-propanoic acid Openeye Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-octylsulfonyl-propanoic acid CAS Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-octylsulfonylpropanoic acid IUPAC Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-octylsulfonylpropanoic acid Traditional Name: 2-[(4-methoxyphenyl)sulfonylmethyl]-3-octylsulfonyl-propionic acid Formula: C19H30O7S2 MolecularWeight: 434.5673

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCS(=O)(=O)CC(CS(=O)(=O)C1=CC=C(C=C1)OC)C(=O)O

Isomeric SMILES

CCCCCCCCS(=O)(=O)CC(CS(=O)(=O)C1=CC=C(C=C1)OC)C(=O)O

InChI

InChI=1S/C19H30O7S2/c1-3-4-5-6-7-8-13-27(22,23)14-16(19(20)21)15-28(24,25)18-11-9-17(26-2)10-12-18/h9-12,16H,3-8,13-15H2,1-2H3,(H,20,21)