2-[[4-(3-phenylmethoxypropylsulfanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethanoic acid

Systemtic Name: 2-[[4-(3-phenylmethoxypropylsulfanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]ethanoic acid Openeye Name: 2-[8-(3-benzyloxypropylsulfanyl)tetralin-5-yl]oxyacetic acid CAS Name: 2-[[4-(3-phenylmethoxypropylthio)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid IUPAC Name: 2-[[4-(3-phenylmethoxypropylsulfanyl)-5,6,7,8-tetrahydronaphthalen-1-yl]oxy]acetic acid Traditional Name: 2-[8-(3-benzoxypropylthio)tetralin-5-yl]oxyacetic acid Formula: C22H26O4S MolecularWeight: 386.50444

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C=CC(=C2C1)OCC(=O)O)SCCCOCC3=CC=CC=C3

Isomeric SMILES

C1CCC2=C(C=CC(=C2C1)OCC(=O)O)SCCCOCC3=CC=CC=C3

InChI

InChI=1S/C22H26O4S/c23-22(24)16-26-20-11-12-21(19-10-5-4-9-18(19)20)27-14-6-13-25-15-17-7-2-1-3-8-17/h1-3,7-8,11-12H,4-6,9-10,13-16H2,(H,23,24)