3-oxidanyl-4-[4-[2-[2-(phenylmethyl)-1-benzothiophen-3-yl]ethyl]phenoxy]sulfonyl-benzoic acid

Systemtic Name: 3-oxidanyl-4-[4-[2-[2-(phenylmethyl)-1-benzothiophen-3-yl]ethyl]phenoxy]sulfonyl-benzoic acid Openeye Name: 4-[4-[2-(2-benzylbenzothiophen-3-yl)ethyl]phenoxy]sulfonyl-3-hydroxy-benzoic acid CAS Name: 3-hydroxy-4-[4-[2-[2-(phenylmethyl)-1-benzothiophen-3-yl]ethyl]phenoxy]sulfonylbenzoic acid IUPAC Name: 4-[4-[2-(2-benzyl-1-benzothiophen-3-yl)ethyl]phenoxy]sulfonyl-3-hydroxybenzoic acid Traditional Name: 4-[4-[2-(2-benzylbenzothiophen-3-yl)ethyl]phenoxy]sulfonyl-3-hydroxy-benzoic acid Formula: C30H24O6S2 MolecularWeight: 544.63796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)CCC4=CC=C(C=C4)OS(=O)(=O)C5=C(C=C(C=C5)C(=O)O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=C(C3=CC=CC=C3S2)CCC4=CC=C(C=C4)OS(=O)(=O)C5=C(C=C(C=C5)C(=O)O)O

InChI

InChI=1S/C30H24O6S2/c31-26-19-22(30(32)33)13-17-29(26)38(34,35)36-23-14-10-20(11-15-23)12-16-25-24-8-4-5-9-27(24)37-28(25)18-21-6-2-1-3-7-21/h1-11,13-15,17,19,31H,12,16,18H2,(H,32,33)