benzene-1,3-dicarboxylic acid; 3,3'-spirobi[1,2-dihydroindene]

Systemtic Name: benzene-1,3-dicarboxylic acid; 3,3'-spirobi[1,2-dihydroindene] Openeye Name: isophthalic acid; 1,1'-spirobi[indane] CAS Name: benzene-1,3-dicarboxylic acid; 3,3'-spirobi[1,2-dihydroindene] IUPAC Name: benzene-1,3-dicarboxylic acid; 3,3'-spirobi[1,2-dihydroindene] Traditional Name: isophthalic acid; 1,1'-spirobi[indane] Formula: C25H22O4 MolecularWeight: 386.43978

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2(CCC3=CC=CC=C32)C4=CC=CC=C41.C1=CC(=CC(=C1)C(=O)O)C(=O)O

Isomeric SMILES

C1CC2(CCC3=CC=CC=C32)C4=CC=CC=C41.C1=CC(=CC(=C1)C(=O)O)C(=O)O

InChI

InChI=1S/C17H16.C8H6O4/c1-3-7-15-13(5-1)9-11-17(15)12-10-14-6-2-4-8-16(14)17;9-7(10)5-2-1-3-6(4-5)8(11)12/h1-8H,9-12H2;1-4H,(H,9,10)(H,11,12)