4-(3,6-dicarboxy-2-methyl-naphthalen-1-yl)-3-methyl-naphthalene-2,7-dicarboxylic acid

Systemtic Name: 4-(3,6-dicarboxy-2-methyl-naphthalen-1-yl)-3-methyl-naphthalene-2,7-dicarboxylic acid Openeye Name: 4-(3,6-dicarboxy-2-methyl-1-naphthyl)-3-methyl-naphthalene-2,7-dicarboxylic acid CAS Name: 4-(3,6-dicarboxy-2-methyl-1-naphthalenyl)-3-methylnaphthalene-2,7-dicarboxylic acid IUPAC Name: 4-(3,6-dicarboxy-2-methylnaphthalen-1-yl)-3-methylnaphthalene-2,7-dicarboxylic acid Traditional Name: 4-(3,6-dicarboxy-2-methyl-1-naphthyl)-3-methyl-naphthalene-2,7-dicarboxylic acid Formula: C26H18O8 MolecularWeight: 458.41632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C=C(C=CC2=C1C3=C4C=CC(=CC4=CC(=C3C)C(=O)O)C(=O)O)C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C=C2C=C(C=CC2=C1C3=C4C=CC(=CC4=CC(=C3C)C(=O)O)C(=O)O)C(=O)O)C(=O)O

InChI

InChI=1S/C26H18O8/c1-11-19(25(31)32)9-15-7-13(23(27)28)3-5-17(15)21(11)22-12(2)20(26(33)34)10-16-8-14(24(29)30)4-6-18(16)22/h3-10H,1-2H3,(H,27,28)(H,29,30)(H,31,32)(H,33,34)