methyl 2-[3-[4-[4-(4-methylsulfonylphenoxy)-2-propyl-phenoxy]butoxy]phenyl]-2-oxidanyl-ethanoate

Systemtic Name: methyl 2-[3-[4-[4-(4-methylsulfonylphenoxy)-2-propyl-phenoxy]butoxy]phenyl]-2-oxidanyl-ethanoate Openeye Name: methyl 2-hydroxy-2-[3-[4-[4-(4-methylsulfonylphenoxy)-2-propyl-phenoxy]butoxy]phenyl]acetate CAS Name: 2-hydroxy-2-[3-[4-[4-(4-methylsulfonylphenoxy)-2-propylphenoxy]butoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-hydroxy-2-[3-[4-[4-(4-methylsulfonylphenoxy)-2-propylphenoxy]butoxy]phenyl]acetate Traditional Name: 2-hydroxy-2-[3-[4-[4-(4-mesylphenoxy)-2-propyl-phenoxy]butoxy]phenyl]acetic acid methyl ester Formula: C29H34O8S MolecularWeight: 542.64046

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)OCCCCOC3=CC=CC(=C3)C(C(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)OCCCCOC3=CC=CC(=C3)C(C(=O)OC)O

InChI

InChI=1S/C29H34O8S/c1-4-8-21-19-25(37-23-11-14-26(15-12-23)38(3,32)33)13-16-27(21)36-18-6-5-17-35-24-10-7-9-22(20-24)28(30)29(31)34-2/h7,9-16,19-20,28,30H,4-6,8,17-18H2,1-3H3