O1-methyl O9-methylsulfonyl 2-[5-(4-methylphenoxy)-4-phenylmethoxy-pentyl]nonanedioate

Systemtic Name: O1-methyl O9-methylsulfonyl 2-[5-(4-methylphenoxy)-4-phenylmethoxy-pentyl]nonanedioate Openeye Name: O1-methyl O9-methylsulfonyl 2-[4-benzyloxy-5-(4-methylphenoxy)pentyl]nonanedioate CAS Name: 2-[5-(4-methylphenoxy)-4-phenylmethoxypentyl]nonanedioic acid O1-methyl ester O9-methylsulfonyl ester IUPAC Name: 1-O-methyl 9-O-methylsulfonyl 2-[5-(4-methylphenoxy)-4-phenylmethoxypentyl]nonanedioate Traditional Name: 2-[4-benzoxy-5-(4-methylphenoxy)pentyl]azelaic acid O9-mesyl ester O1-methyl ester Formula: C30H42O8S MolecularWeight: 562.71468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42O8S/c1-24-18-20-27(21-19-24)37-23-28(36-22-25-12-7-6-8-13-25)16-11-15-26(30(32)35-2)14-9-4-5-10-17-29(31)38-39(3,33)34/h6-8,12-13,18-21,26,28H,4-5,9-11,14-17,22-23H2,1-3H3