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

Systemtic Name: 2-[4-[2-[(3,5-dimethoxy-4-methyl-phenyl)-oxidanyl-methyl]-5-thiophen-3-yl-pentyl]phenyl]ethanoic acid Openeye Name: 2-[4-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(3-thienyl)pentyl]phenyl]acetic acid CAS Name: 2-[4-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-(3-thiophenyl)pentyl]phenyl]acetic acid IUPAC Name: 2-[4-[2-[(3,5-dimethoxy-4-methylphenyl)-hydroxymethyl]-5-thiophen-3-ylpentyl]phenyl]acetic acid Traditional Name: 2-[4-[2-[(3,5-dimethoxy-4-methyl-phenyl)-hydroxy-methyl]-5-(3-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=CSC=C2)CC3=CC=C(C=C3)CC(=O)O)O)OC

Isomeric SMILES

CC1=C(C=C(C=C1OC)C(C(CCCC2=CSC=C2)CC3=CC=C(C=C3)CC(=O)O)O)OC

InChI

InChI=1S/C27H32O5S/c1-18-24(31-2)15-23(16-25(18)32-3)27(30)22(6-4-5-21-11-12-33-17-21)13-19-7-9-20(10-8-19)14-26(28)29/h7-12,15-17,22,27,30H,4-6,13-14H2,1-3H3,(H,28,29)