benzene-1,3-dicarboxylic acid; 4-(1-tert-butylcyclopropyl)oxycarbonylbenzoic acid

Systemtic Name: benzene-1,3-dicarboxylic acid; 4-(1-tert-butylcyclopropyl)oxycarbonylbenzoic acid Openeye Name: 4-(1-tert-butylcyclopropoxy)carbonylbenzoic acid; isophthalic acid CAS Name: benzene-1,3-dicarboxylic acid; 4-[(1-tert-butylcyclopropyl)oxy-oxomethyl]benzoic acid IUPAC Name: benzene-1,3-dicarboxylic acid; 4-(1-tert-butylcyclopropyl)oxycarbonylbenzoic acid Traditional Name: 4-(1-tert-butylcyclopropoxy)carbonylbenzoic acid; isophthalic acid Formula: C31H30O12 MolecularWeight: 594.5627

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1(CC1)OC(=O)C2=CC=C(C=C2)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

CC(C)(C)C1(CC1)OC(=O)C2=CC=C(C=C2)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C15H18O4.2C8H6O4/c1-14(2,3)15(8-9-15)19-13(18)11-6-4-10(5-7-11)12(16)17;2*9-7(10)5-2-1-3-6(4-5)8(11)12/h4-7H,8-9H2,1-3H3,(H,16,17);2*1-4H,(H,9,10)(H,11,12)