3,4-bis(2-methylheptadecan-8-yl)phthalic acid

Systemtic Name: 3,4-bis(2-methylheptadecan-8-yl)phthalic acid Openeye Name: 3,4-bis[1-(6-methylheptyl)decyl]phthalic acid CAS Name: 3,4-bis(2-methylheptadecan-8-yl)phthalic acid IUPAC Name: 3,4-bis(2-methylheptadecan-8-yl)phthalic acid Traditional Name: 3,4-bis[1-(6-methylheptyl)decyl]phthalic acid Formula: C44H78O4 MolecularWeight: 671.08772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(CCCCCC(C)C)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCCCCCCCC)CCCCCC(C)C

Isomeric SMILES

CCCCCCCCCC(CCCCCC(C)C)C1=C(C(=C(C=C1)C(=O)O)C(=O)O)C(CCCCCCCCC)CCCCCC(C)C

InChI

InChI=1S/C44H78O4/c1-7-9-11-13-15-17-23-29-37(30-25-19-21-27-35(3)4)39-33-34-40(43(45)46)42(44(47)48)41(39)38(32-26-20-22-28-36(5)6)31-24-18-16-14-12-10-8-2/h33-38H,7-32H2,1-6H3,(H,45,46)(H,47,48)