S-(4-butoxyphenyl) 4-hexylbenzenecarbothioate

Systemtic Name: S-(4-butoxyphenyl) 4-hexylbenzenecarbothioate Openeye Name: S-(4-butoxyphenyl) 4-hexylbenzenecarbothioate CAS Name: 4-hexylbenzenecarbothioic acid S-(4-butoxyphenyl) ester IUPAC Name: S-(4-butoxyphenyl) 4-hexylbenzenecarbothioate Traditional Name: 4-hexylthiobenzoic acid S-(4-butoxyphenyl) ester Formula: C23H30O2S MolecularWeight: 370.5481

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)OCCCC

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)SC2=CC=C(C=C2)OCCCC

InChI

InChI=1S/C23H30O2S/c1-3-5-7-8-9-19-10-12-20(13-11-19)23(24)26-22-16-14-21(15-17-22)25-18-6-4-2/h10-17H,3-9,18H2,1-2H3