1-(2-butylphenyl)carbonyloxyethyl-[13-(oxan-2-yl)tridecyl]sulfanium

Systemtic Name: 1-(2-butylphenyl)carbonyloxyethyl-[13-(oxan-2-yl)tridecyl]sulfanium Openeye Name: 1-(2-butylbenzoyl)oxyethyl-(13-tetrahydropyran-2-yltridecyl)sulfonium CAS Name: 1-[(2-butylphenyl)-oxomethoxy]ethyl-[13-(2-oxanyl)tridecyl]sulfonium IUPAC Name: 1-(2-butylbenzoyl)oxyethyl-[13-(oxan-2-yl)tridecyl]sulfanium Traditional Name: 1-(2-butylbenzoyl)oxyethyl-(13-tetrahydropyran-2-yltridecyl)sulfonium Formula: C31H53O3S+ MolecularWeight: 505.81572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=CC=C1C(=O)OC(C)[SH+]CCCCCCCCCCCCCC2CCCCO2

Isomeric SMILES

CCCCC1=CC=CC=C1C(=O)OC(C)[SH+]CCCCCCCCCCCCCC2CCCCO2

InChI

InChI=1S/C31H52O3S/c1-3-4-20-28-21-15-16-24-30(28)31(32)34-27(2)35-26-19-13-11-9-7-5-6-8-10-12-14-22-29-23-17-18-25-33-29/h15-16,21,24,27,29H,3-14,17-20,22-23,25-26H2,1-2H3/p+1