[(2S,3S)-4-(1,3-dithian-2-yl)-2-ethyl-2,3-bis(oxidanyl)butyl] 4-methoxybenzoate

Systemtic Name: [(2S,3S)-4-(1,3-dithian-2-yl)-2-ethyl-2,3-bis(oxidanyl)butyl] 4-methoxybenzoate Openeye Name: [(2S,3S)-4-(1,3-dithian-2-yl)-2-ethyl-2,3-dihydroxy-butyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2S,3S)-4-(1,3-dithian-2-yl)-2-ethyl-2,3-dihydroxybutyl] ester IUPAC Name: [(2S,3S)-4-(1,3-dithian-2-yl)-2-ethyl-2,3-dihydroxybutyl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(2S,3S)-4-(1,3-dithian-2-yl)-2-ethyl-2,3-dihydroxy-butyl] ester Formula: C18H26O5S2 MolecularWeight: 386.52604

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(COC(=O)C1=CC=C(C=C1)OC)(C(CC2SCCCS2)O)O

Isomeric SMILES

CC[C@](COC(=O)C1=CC=C(C=C1)OC)([C@H](CC2SCCCS2)O)O

InChI

InChI=1S/C18H26O5S2/c1-3-18(21,15(19)11-16-24-9-4-10-25-16)12-23-17(20)13-5-7-14(22-2)8-6-13/h5-8,15-16,19,21H,3-4,9-12H2,1-2H3/t15-,18-/m0/s1