2-methoxy-6-[5-[2-[(2S)-2-oxidanylpropyl]-1,3-dithian-2-yl]pentyl]-4-phenylmethoxy-benzoic acid

Systemtic Name: 2-methoxy-6-[5-[2-[(2S)-2-oxidanylpropyl]-1,3-dithian-2-yl]pentyl]-4-phenylmethoxy-benzoic acid Openeye Name: 4-benzyloxy-2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-benzoic acid CAS Name: 2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-4-phenylmethoxybenzoic acid IUPAC Name: 2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-4-phenylmethoxybenzoic acid Traditional Name: 4-benzoxy-2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-benzoic acid Formula: C27H36O5S2 MolecularWeight: 504.70174

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1(SCCCS1)CCCCCC2=CC(=CC(=C2C(=O)O)OC)OCC3=CC=CC=C3)O

Isomeric SMILES

C[C@@H](CC1(SCCCS1)CCCCCC2=CC(=CC(=C2C(=O)O)OC)OCC3=CC=CC=C3)O

InChI

InChI=1S/C27H36O5S2/c1-20(28)18-27(33-14-9-15-34-27)13-8-4-7-12-22-16-23(17-24(31-2)25(22)26(29)30)32-19-21-10-5-3-6-11-21/h3,5-6,10-11,16-17,20,28H,4,7-9,12-15,18-19H2,1-2H3,(H,29,30)/t20-/m0/s1