1-[2-[2-(4-hydroxyphenyl)ethyl]-1,3-dithian-2-yl]-2-oxidanyl-heptadecan-4-one

Systemtic Name: 1-[2-[2-(4-hydroxyphenyl)ethyl]-1,3-dithian-2-yl]-2-oxidanyl-heptadecan-4-one Openeye Name: 2-hydroxy-1-[2-[2-(4-hydroxyphenyl)ethyl]-1,3-dithian-2-yl]heptadecan-4-one CAS Name: 2-hydroxy-1-[2-[2-(4-hydroxyphenyl)ethyl]-1,3-dithian-2-yl]-4-heptadecanone IUPAC Name: 2-hydroxy-1-[2-[2-(4-hydroxyphenyl)ethyl]-1,3-dithian-2-yl]heptadecan-4-one Traditional Name: 2-hydroxy-1-[2-[2-(4-hydroxyphenyl)ethyl]-1,3-dithian-2-yl]heptadecan-4-one Formula: C29H48O3S2 MolecularWeight: 508.81962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCC(=O)CC(CC1(SCCCS1)CCC2=CC=C(C=C2)O)O

Isomeric SMILES

CCCCCCCCCCCCCC(=O)CC(CC1(SCCCS1)CCC2=CC=C(C=C2)O)O

InChI

InChI=1S/C29H48O3S2/c1-2-3-4-5-6-7-8-9-10-11-12-14-27(31)23-28(32)24-29(33-21-13-22-34-29)20-19-25-15-17-26(30)18-16-25/h15-18,28,30,32H,2-14,19-24H2,1H3