O-[4-(2-methylbutyl)phenyl] 4-dodecoxybenzenecarbothioate

Systemtic Name: O-[4-(2-methylbutyl)phenyl] 4-dodecoxybenzenecarbothioate Openeye Name: O-[4-(2-methylbutyl)phenyl] 4-dodecoxybenzenecarbothioate CAS Name: 4-dodecoxybenzenecarbothioic acid O-[4-(2-methylbutyl)phenyl] ester IUPAC Name: O-[4-(2-methylbutyl)phenyl] 4-dodecoxybenzenecarbothioate Traditional Name: 4-lauryloxythiobenzoic acid O-[4-(2-methylbutyl)phenyl] ester Formula: C30H44O2S MolecularWeight: 468.73416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=S)OC2=CC=C(C=C2)CC(C)CC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C(=S)OC2=CC=C(C=C2)CC(C)CC

InChI

InChI=1S/C30H44O2S/c1-4-6-7-8-9-10-11-12-13-14-23-31-28-21-17-27(18-22-28)30(33)32-29-19-15-26(16-20-29)24-25(3)5-2/h15-22,25H,4-14,23-24H2,1-3H3