2-[4-methyl-4-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]oxy-3-oxidanyl-butanedioic acid

Systemtic Name: 2-[4-methyl-4-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]oxy-3-oxidanyl-butanedioic acid Openeye Name: 2-hydroxy-3-[4-methyl-4-(p-tolyl)cyclohexa-1,5-dien-1-yl]oxy-butanedioic acid CAS Name: 2-hydroxy-3-[[4-methyl-4-(4-methylphenyl)-1-cyclohexa-1,5-dienyl]oxy]butanedioic acid IUPAC Name: 2-hydroxy-3-[4-methyl-4-(4-methylphenyl)cyclohexa-1,5-dien-1-yl]oxybutanedioic acid Traditional Name: 2-hydroxy-3-[4-methyl-4-(p-tolyl)cyclohexa-1,5-dien-1-yl]oxy-succinic acid Formula: C18H20O6 MolecularWeight: 332.3478

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2(CC=C(C=C2)OC(C(C(=O)O)O)C(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2(CC=C(C=C2)OC(C(C(=O)O)O)C(=O)O)C

InChI

InChI=1S/C18H20O6/c1-11-3-5-12(6-4-11)18(2)9-7-13(8-10-18)24-15(17(22)23)14(19)16(20)21/h3-9,14-15,19H,10H2,1-2H3,(H,20,21)(H,22,23)