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

Systemtic Name: methyl 2-methoxy-6-[5-[2-[(2S)-2-oxidanylpropyl]-1,3-dithian-2-yl]pentyl]-4-phenylmethoxy-benzoate Openeye Name: methyl 4-benzyloxy-2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-benzoate CAS Name: 2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-4-phenylmethoxybenzoic acid methyl ester IUPAC Name: methyl 2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-[5-[2-[(2S)-2-hydroxypropyl]-1,3-dithian-2-yl]pentyl]-6-methoxy-benzoic acid methyl ester Formula: C28H38O5S2 MolecularWeight: 518.72832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H38O5S2/c1-21(29)19-28(34-15-10-16-35-28)14-9-5-8-13-23-17-24(33-20-22-11-6-4-7-12-22)18-25(31-2)26(23)27(30)32-3/h4,6-7,11-12,17-18,21,29H,5,8-10,13-16,19-20H2,1-3H3/t21-/m0/s1