3-methyl-4-[5-(2-methylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid

Systemtic Name: 3-methyl-4-[5-(2-methylphenoxy)-1-oxidanyl-1-oxidanylidene-pentan-2-yl]oxy-benzoic acid Openeye Name: 4-[1-carboxy-4-(2-methylphenoxy)butoxy]-3-methyl-benzoic acid CAS Name: 4-[1-hydroxy-5-(2-methylphenoxy)-1-oxopentan-2-yl]oxy-3-methylbenzoic acid IUPAC Name: 4-[1-hydroxy-5-(2-methylphenoxy)-1-oxopentan-2-yl]oxy-3-methylbenzoic acid Traditional Name: 4-[1-carboxy-4-(2-methylphenoxy)butoxy]-3-methyl-benzoic acid Formula: C20H22O6 MolecularWeight: 358.38508

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1OCCCC(C(=O)O)OC2=C(C=C(C=C2)C(=O)O)C

Isomeric SMILES

CC1=CC=CC=C1OCCCC(C(=O)O)OC2=C(C=C(C=C2)C(=O)O)C

InChI

InChI=1S/C20H22O6/c1-13-6-3-4-7-16(13)25-11-5-8-18(20(23)24)26-17-10-9-15(19(21)22)12-14(17)2/h3-4,6-7,9-10,12,18H,5,8,11H2,1-2H3,(H,21,22)(H,23,24)