4-(4-carboxyphenyl)-3-oxidanyl-benzoic acid; 4-(methoxymethyl)-5',5'-dimethyl-spiro[1,3-dihydrobenzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione

Systemtic Name: 4-(4-carboxyphenyl)-3-oxidanyl-benzoic acid; 4-(methoxymethyl)-5',5'-dimethyl-spiro[1,3-dihydrobenzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione Openeye Name: 4-(4-carboxyphenyl)-3-hydroxy-benzoic acid; 4-(methoxymethyl)-5',5'-dimethyl-spiro[1,3-dihydrobenzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione CAS Name: 4-(4-carboxyphenyl)-3-hydroxybenzoic acid; 4-(methoxymethyl)-5',5'-dimethylspiro[1,3-dihydrobenzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione IUPAC Name: 4-(4-carboxyphenyl)-3-hydroxybenzoic acid; 4-(methoxymethyl)-5',5'-dimethylspiro[1,3-dihydrobenzo[f]quinoline-2,2'-cyclohexane]-1',3'-dione Traditional Name: 4-(4-carboxyphenyl)-3-hydroxy-benzoic acid; 4-(methoxymethyl)-5',5'-dimethyl-spiro[1,3-dihydrobenzo[f]quinoline-2,2'-cyclohexane]-1',3'-quinone Formula: C58H60N2O11 MolecularWeight: 961.1038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C22H25NO3.C14H10O5/c2*1-21(2)11-19(24)22(20(25)12-21)10-17-16-7-5-4-6-15(16)8-9-18(17)23(13-22)14-26-3;15-12-7-10(14(18)19)5-6-11(12)8-1-3-9(4-2-8)13(16)17/h2*4-9H,10-14H2,1-3H3;1-7,15H,(H,16,17)(H,18,19)