2,4-bis[6-(3-octyloxiran-2-yl)hexyl]-3-oxidanyl-pentanedioic acid

Systemtic Name: 2,4-bis[6-(3-octyloxiran-2-yl)hexyl]-3-oxidanyl-pentanedioic acid Openeye Name: 3-hydroxy-2,4-bis[6-(3-octyloxiran-2-yl)hexyl]pentanedioic acid CAS Name: 3-hydroxy-2,4-bis[6-(3-octyl-2-oxiranyl)hexyl]pentanedioic acid IUPAC Name: 3-hydroxy-2,4-bis[6-(3-octyloxiran-2-yl)hexyl]pentanedioic acid Traditional Name: 3-hydroxy-2,4-bis[6-(3-octyloxiran-2-yl)hexyl]glutaric acid Formula: C37H68O7 MolecularWeight: 624.93162

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1C(O1)CCCCCCC(C(C(CCCCCCC2C(O2)CCCCCCCC)C(=O)O)O)C(=O)O

Isomeric SMILES

CCCCCCCCC1C(O1)CCCCCCC(C(C(CCCCCCC2C(O2)CCCCCCCC)C(=O)O)O)C(=O)O

InChI

InChI=1S/C37H68O7/c1-3-5-7-9-11-19-25-31-33(43-31)27-21-15-13-17-23-29(36(39)40)35(38)30(37(41)42)24-18-14-16-22-28-34-32(44-34)26-20-12-10-8-6-4-2/h29-35,38H,3-28H2,1-2H3,(H,39,40)(H,41,42)