2-(oxan-4-yl)-2-[4-(phenylmethyl)phenyl]sulfanyl-ethanoic acid

Systemtic Name: 2-(oxan-4-yl)-2-[4-(phenylmethyl)phenyl]sulfanyl-ethanoic acid Openeye Name: 2-(4-benzylphenyl)sulfanyl-2-tetrahydropyran-4-yl-acetic acid CAS Name: 2-(4-oxanyl)-2-[[4-(phenylmethyl)phenyl]thio]acetic acid IUPAC Name: 2-(4-benzylphenyl)sulfanyl-2-(oxan-4-yl)acetic acid Traditional Name: 2-[(4-benzylphenyl)thio]-2-tetrahydropyran-4-yl-acetic acid Formula: C20H22O3S MolecularWeight: 342.45188

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCC1C(C(=O)O)SC2=CC=C(C=C2)CC3=CC=CC=C3

Isomeric SMILES

C1COCCC1C(C(=O)O)SC2=CC=C(C=C2)CC3=CC=CC=C3

InChI

InChI=1S/C20H22O3S/c21-20(22)19(17-10-12-23-13-11-17)24-18-8-6-16(7-9-18)14-15-4-2-1-3-5-15/h1-9,17,19H,10-14H2,(H,21,22)