2,2-bis(2-ethylhexyl)butanedioate; 2-(16-methylheptadecoxy)-2-(16-methylheptadecyl)butanedioic acid

Systemtic Name: 2,2-bis(2-ethylhexyl)butanedioate; 2-(16-methylheptadecoxy)-2-(16-methylheptadecyl)butanedioic acid Openeye Name: 2,2-bis(2-ethylhexyl)butanedioate; 2-(16-methylheptadecoxy)-2-(16-methylheptadecyl)butanedioic acid CAS Name: 2,2-bis(2-ethylhexyl)butanedioate; 2-(16-methylheptadecoxy)-2-(16-methylheptadecyl)butanedioic acid IUPAC Name: 2,2-bis(2-ethylhexyl)butanedioate; 2-(16-methylheptadecoxy)-2-(16-methylheptadecyl)butanedioic acid Traditional Name: 2,2-bis(2-ethylhexyl)succinate; 2-(16-methylheptadecoxy)-2-(16-methylheptadecyl)succinic acid Formula: C60H114O9-2 MolecularWeight: 979.54176

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)[O-])C(=O)[O-].CC(C)CCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)OCCCCCCCCCCCCCCCC(C)C

Isomeric SMILES

CCCCC(CC)CC(CC(CC)CCCC)(CC(=O)[O-])C(=O)[O-].CC(C)CCCCCCCCCCCCCCCC(CC(=O)O)(C(=O)O)OCCCCCCCCCCCCCCCC(C)C

InChI

InChI=1S/C40H78O5.C20H38O4/c1-36(2)31-27-23-19-15-11-7-5-9-13-17-21-25-29-33-40(39(43)44,35-38(41)42)45-34-30-26-22-18-14-10-6-8-12-16-20-24-28-32-37(3)4;1-5-9-11-16(7-3)13-20(19(23)24,15-18(21)22)14-17(8-4)12-10-6-2/h36-37H,5-35H2,1-4H3,(H,41,42)(H,43,44);16-17H,5-15H2,1-4H3,(H,21,22)(H,23,24)/p-2