2-[4-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-thiophen-2-yl-pentyl]phenyl]ethanoic acid

Systemtic Name: 2-[4-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-thiophen-2-yl-pentyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(2-thienyl)pentyl]phenyl]acetic acid CAS Name: 2-[4-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-2-ylpentyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-2-ylpentyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(2-thienyl)pentyl]phenyl]acetic acid Formula: C27H32O5S MolecularWeight: 468.60498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CS2)CC3=CC=C(C=C3)CC(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CC=CS2)CC3=CC=C(C=C3)CC(=O)O)O)OC

InChI

InChI=1S/C27H32O5S/c1-18-24(31-2)16-22(17-25(18)32-3)27(30)21(6-4-7-23-8-5-13-33-23)14-19-9-11-20(12-10-19)15-26(28)29/h5,8-13,16-17,21,27,30H,4,6-7,14-15H2,1-3H3,(H,28,29)