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

Systemtic Name: methyl 2-[3-[3-[4-(4-methylsulfonylphenoxy)-2-propyl-phenoxy]propoxy]phenyl]-2-oxidanyl-ethanoate Openeye Name: methyl 2-hydroxy-2-[3-[3-[4-(4-methylsulfonylphenoxy)-2-propyl-phenoxy]propoxy]phenyl]acetate CAS Name: 2-hydroxy-2-[3-[3-[4-(4-methylsulfonylphenoxy)-2-propylphenoxy]propoxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-hydroxy-2-[3-[3-[4-(4-methylsulfonylphenoxy)-2-propylphenoxy]propoxy]phenyl]acetate Traditional Name: 2-hydroxy-2-[3-[3-[4-(4-mesylphenoxy)-2-propyl-phenoxy]propoxy]phenyl]acetic acid methyl ester Formula: C28H32O8S MolecularWeight: 528.61388

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)OCCCOC3=CC=CC(=C3)C(C(=O)OC)O

Isomeric SMILES

CCCC1=C(C=CC(=C1)OC2=CC=C(C=C2)S(=O)(=O)C)OCCCOC3=CC=CC(=C3)C(C(=O)OC)O

InChI

InChI=1S/C28H32O8S/c1-4-7-20-18-24(36-22-10-13-25(14-11-22)37(3,31)32)12-15-26(20)35-17-6-16-34-23-9-5-8-21(19-23)27(29)28(30)33-2/h5,8-15,18-19,27,29H,4,6-7,16-17H2,1-3H3