2-[5-(3-methylbutoxy)-2-propyl-phenoxy]butanedioic acid

Systemtic Name: 2-[5-(3-methylbutoxy)-2-propyl-phenoxy]butanedioic acid Openeye Name: 2-(5-isopentyloxy-2-propyl-phenoxy)butanedioic acid CAS Name: 2-[5-(3-methylbutoxy)-2-propylphenoxy]butanedioic acid IUPAC Name: 2-[5-(3-methylbutoxy)-2-propylphenoxy]butanedioic acid Traditional Name: 2-(5-isoamoxy-2-propyl-phenoxy)succinic acid Formula: C18H26O6 MolecularWeight: 338.39544

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C=C1)OCCC(C)C)OC(CC(=O)O)C(=O)O

Isomeric SMILES

CCCC1=C(C=C(C=C1)OCCC(C)C)OC(CC(=O)O)C(=O)O

InChI

InChI=1S/C18H26O6/c1-4-5-13-6-7-14(23-9-8-12(2)3)10-15(13)24-16(18(21)22)11-17(19)20/h6-7,10,12,16H,4-5,8-9,11H2,1-3H3,(H,19,20)(H,21,22)