dimethyl 2-[5-(4-methylphenoxy)-4-phenylmethoxy-pentyl]-2-methylsulfonyl-nonanedioate

Systemtic Name: dimethyl 2-[5-(4-methylphenoxy)-4-phenylmethoxy-pentyl]-2-methylsulfonyl-nonanedioate Openeye Name: dimethyl 2-[4-benzyloxy-5-(4-methylphenoxy)pentyl]-2-methylsulfonyl-nonanedioate CAS Name: 2-[5-(4-methylphenoxy)-4-phenylmethoxypentyl]-2-methylsulfonylnonanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[5-(4-methylphenoxy)-4-phenylmethoxypentyl]-2-methylsulfonylnonanedioate Traditional Name: 2-[4-benzoxy-5-(4-methylphenoxy)pentyl]-2-mesyl-azelaic acid dimethyl ester Formula: C31H44O8S MolecularWeight: 576.74126

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(CCCC(CCCCCCC(=O)OC)(C(=O)OC)S(=O)(=O)C)OCC2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)OCC(CCCC(CCCCCCC(=O)OC)(C(=O)OC)S(=O)(=O)C)OCC2=CC=CC=C2

InChI

InChI=1S/C31H44O8S/c1-25-17-19-27(20-18-25)39-24-28(38-23-26-13-8-7-9-14-26)15-12-22-31(30(33)37-3,40(4,34)35)21-11-6-5-10-16-29(32)36-2/h7-9,13-14,17-20,28H,5-6,10-12,15-16,21-24H2,1-4H3