4-(4-carboxyphenyl)benzoic acid; 5',5'-dimethylspiro[3,4-dihydro-1H-benzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione

Systemtic Name: 4-(4-carboxyphenyl)benzoic acid; 5',5'-dimethylspiro[3,4-dihydro-1H-benzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione Openeye Name: 4-(4-carboxyphenyl)benzoic acid; 5',5'-dimethylspiro[3,4-dihydro-1H-benzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione CAS Name: 4-(4-carboxyphenyl)benzoic acid; 5',5'-dimethylspiro[3,4-dihydro-1H-benzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione IUPAC Name: 4-(4-carboxyphenyl)benzoic acid; 5',5'-dimethylspiro[3,4-dihydro-1H-benzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione Traditional Name: 4-(4-carboxyphenyl)benzoic acid; 5',5'-dimethylspiro[3,4-dihydro-1H-benzo[f]quinoline-2,2'-cyclohexane]-1',3'-quinone Formula: C54H52N2O8 MolecularWeight: 856.99928

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C2(CC3=C(C=CC4=CC=CC=C34)NC2)C(=O)C1)C.CC1(CC(=O)C2(CC3=C(C=CC4=CC=CC=C34)NC2)C(=O)C1)C.C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O

Isomeric SMILES

CC1(CC(=O)C2(CC3=C(C=CC4=CC=CC=C34)NC2)C(=O)C1)C.CC1(CC(=O)C2(CC3=C(C=CC4=CC=CC=C34)NC2)C(=O)C1)C.C1=CC(=CC=C1C2=CC=C(C=C2)C(=O)O)C(=O)O

InChI

InChI=1S/2C20H21NO2.C14H10O4/c2*1-19(2)10-17(22)20(18(23)11-19)9-15-14-6-4-3-5-13(14)7-8-16(15)21-12-20;15-13(16)11-5-1-9(2-6-11)10-3-7-12(8-4-10)14(17)18/h2*3-8,21H,9-12H2,1-2H3;1-8H,(H,15,16)(H,17,18)