3,4-bis(10-methylundecoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(10-methylundecoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(10-methylundecoxycarbonyl)benzoic acid CAS Name: 3,4-bis[10-methylundecoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(10-methylundecoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(10-methylundecoxycarbonyl)benzoic acid Formula: C33H54O6 MolecularWeight: 546.77826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCCCCC(C)C

InChI

InChI=1S/C33H54O6/c1-26(2)19-15-11-7-5-9-13-17-23-38-32(36)29-22-21-28(31(34)35)25-30(29)33(37)39-24-18-14-10-6-8-12-16-20-27(3)4/h21-22,25-27H,5-20,23-24H2,1-4H3,(H,34,35)