2,2-dimethylpropyl 2-[4-[1,1-bis(oxidanylidene)thian-4-yl]phenoxy]dodecanoate

Systemtic Name: 2,2-dimethylpropyl 2-[4-[1,1-bis(oxidanylidene)thian-4-yl]phenoxy]dodecanoate Openeye Name: 2,2-dimethylpropyl 2-[4-(1,1-dioxothian-4-yl)phenoxy]dodecanoate CAS Name: 2-[4-(1,1-dioxo-4-thianyl)phenoxy]dodecanoic acid 2,2-dimethylpropyl ester IUPAC Name: 2,2-dimethylpropyl 2-[4-(1,1-dioxothian-4-yl)phenoxy]dodecanoate Traditional Name: 2-[4-(1,1-diketothian-4-yl)phenoxy]lauric acid neopentyl ester Formula: C28H46O5S MolecularWeight: 494.72684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(C(=O)OCC(C)(C)C)OC1=CC=C(C=C1)C2CCS(=O)(=O)CC2

Isomeric SMILES

CCCCCCCCCCC(C(=O)OCC(C)(C)C)OC1=CC=C(C=C1)C2CCS(=O)(=O)CC2

InChI

InChI=1S/C28H46O5S/c1-5-6-7-8-9-10-11-12-13-26(27(29)32-22-28(2,3)4)33-25-16-14-23(15-17-25)24-18-20-34(30,31)21-19-24/h14-17,24,26H,5-13,18-22H2,1-4H3