1-propylperylene-3,4,9,10-tetracarboxylic acid

Systemtic Name: 1-propylperylene-3,4,9,10-tetracarboxylic acid Openeye Name: 1-propylperylene-3,4,9,10-tetracarboxylic acid CAS Name: 1-propylperylene-3,4,9,10-tetracarboxylic acid IUPAC Name: 1-propylperylene-3,4,9,10-tetracarboxylic acid Traditional Name: 1-propylperylene-3,4,9,10-tetracarboxylic acid Formula: C27H18O8 MolecularWeight: 470.42702

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C(=C(C=C5)C(=O)O)C(=C1)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C2C3=CC=C(C4=C(C=CC(=C34)C5=C2C(=C(C=C5)C(=O)O)C(=C1)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C27H18O8/c1-2-3-11-10-18(27(34)35)22-17(26(32)33)8-5-13-12-4-7-15(24(28)29)21-16(25(30)31)9-6-14(20(12)21)19(11)23(13)22/h4-10H,2-3H2,1H3,(H,28,29)(H,30,31)(H,32,33)(H,34,35)