[3,4,5-triacetyloxy-6-[2-[(4-ethylphenyl)methyl]phenoxy]thian-2-yl]methyl ethanoate

Systemtic Name: [3,4,5-triacetyloxy-6-[2-[(4-ethylphenyl)methyl]phenoxy]thian-2-yl]methyl ethanoate Openeye Name: [3,4,5-triacetoxy-6-[2-[(4-ethylphenyl)methyl]phenoxy]tetrahydrothiopyran-2-yl]methyl acetate CAS Name: acetic acid [3,4,5-triacetyloxy-6-[2-[(4-ethylphenyl)methyl]phenoxy]-2-thianyl]methyl ester IUPAC Name: [3,4,5-triacetyloxy-6-[2-[(4-ethylphenyl)methyl]phenoxy]thian-2-yl]methyl acetate Traditional Name: acetic acid [3,4,5-triacetoxy-6-[2-(4-ethylbenzyl)phenoxy]tetrahydrothiopyran-2-yl]methyl ester Formula: C29H34O9S MolecularWeight: 558.63986

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CC2=CC=CC=C2OC3C(C(C(C(S3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

Isomeric SMILES

CCC1=CC=C(C=C1)CC2=CC=CC=C2OC3C(C(C(C(S3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C

InChI

InChI=1S/C29H34O9S/c1-6-21-11-13-22(14-12-21)15-23-9-7-8-10-24(23)38-29-28(37-20(5)33)27(36-19(4)32)26(35-18(3)31)25(39-29)16-34-17(2)30/h7-14,25-29H,6,15-16H2,1-5H3