3,4-bis(7-methyloctoxycarbonyl)benzoic acid

Systemtic Name: 3,4-bis(7-methyloctoxycarbonyl)benzoic acid Openeye Name: 3,4-bis(7-methyloctoxycarbonyl)benzoic acid CAS Name: 3,4-bis[7-methyloctoxy(oxo)methyl]benzoic acid IUPAC Name: 3,4-bis(7-methyloctoxycarbonyl)benzoic acid Traditional Name: 3,4-bis(7-methyloctoxycarbonyl)benzoic acid Formula: C27H42O6 MolecularWeight: 462.61878

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCC(C)C

Isomeric SMILES

CC(C)CCCCCCOC(=O)C1=C(C=C(C=C1)C(=O)O)C(=O)OCCCCCCC(C)C

InChI

InChI=1S/C27H42O6/c1-20(2)13-9-5-7-11-17-32-26(30)23-16-15-22(25(28)29)19-24(23)27(31)33-18-12-8-6-10-14-21(3)4/h15-16,19-21H,5-14,17-18H2,1-4H3,(H,28,29)