[(2R,3S)-1-(1,3-dithian-2-yl)-3-methyl-pentan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2R,3S)-1-(1,3-dithian-2-yl)-3-methyl-pentan-2-yl] 4-methoxybenzoate Openeye Name: [(1R,2S)-1-(1,3-dithian-2-ylmethyl)-2-methyl-butyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-yl] ester IUPAC Name: [(2R,3S)-1-(1,3-dithian-2-yl)-3-methylpentan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1R,2S)-1-(1,3-dithian-2-ylmethyl)-2-methyl-butyl] ester Formula: C18H26O3S2 MolecularWeight: 354.52724

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(CC1SCCCS1)OC(=O)C2=CC=C(C=C2)OC

Isomeric SMILES

CC[C@H](C)[C@@H](CC1SCCCS1)OC(=O)C2=CC=C(C=C2)OC

InChI

InChI=1S/C18H26O3S2/c1-4-13(2)16(12-17-22-10-5-11-23-17)21-18(19)14-6-8-15(20-3)9-7-14/h6-9,13,16-17H,4-5,10-12H2,1-3H3/t13-,16+/m0/s1