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2-benzofuran-1,3-dione; 3-(7-methyloctyl)phthalic acid

2-benzofuran-1,3-dione; 3-(7-methyloctyl)phthalic acid

Systemtic Name:2-benzofuran-1,3-dione; 3-(7-methyloctyl)phthalic acid
Openeye Name:isobenzofuran-1,3-dione; 3-(7-methyloctyl)phthalic acid
CAS Name:isobenzofuran-1,3-dione; 3-(7-methyloctyl)phthalic acid
IUPAC Name:2-benzofuran-1,3-dione; 3-(7-methyloctyl)phthalic acid
Traditional Name:3-(7-methyloctyl)phthalic acid; phthalic anhydride
Formula: C25H28O7
MolecularWeight: 440.48562
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCCCCC1=CC=CC(=C1C(=O)O)C(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O


Isomeric SMILES

CC(C)CCCCCCC1=CC=CC(=C1C(=O)O)C(=O)O.C1=CC=C2C(=C1)C(=O)OC2=O


InChI

InChI=1S/C17H24O4.C8H4O3/c1-12(2)8-5-3-4-6-9-13-10-7-11-14(16(18)19)15(13)17(20)21;9-7-5-3-1-2-4-6(5)8(10)11-7/h7,10-12H,3-6,8-9H2,1-2H3,(H,18,19)(H,20,21);1-4H


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