3-[4-(5-propan-2-yl-1,3-dithian-2-yl)phenyl]prop-2-ynyl benzoate

Systemtic Name: 3-[4-(5-propan-2-yl-1,3-dithian-2-yl)phenyl]prop-2-ynyl benzoate Openeye Name: 3-[4-(5-isopropyl-1,3-dithian-2-yl)phenyl]prop-2-ynyl benzoate CAS Name: benzoic acid 3-[4-(5-propan-2-yl-1,3-dithian-2-yl)phenyl]prop-2-ynyl ester IUPAC Name: 3-[4-(5-propan-2-yl-1,3-dithian-2-yl)phenyl]prop-2-ynyl benzoate Traditional Name: benzoic acid 3-[4-(5-isopropyl-1,3-dithian-2-yl)phenyl]prop-2-ynyl ester Formula: C23H24O2S2 MolecularWeight: 396.56546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1CSC(SC1)C2=CC=C(C=C2)C#CCOC(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)C1CSC(SC1)C2=CC=C(C=C2)C#CCOC(=O)C3=CC=CC=C3

InChI

InChI=1S/C23H24O2S2/c1-17(2)21-15-26-23(27-16-21)20-12-10-18(11-13-20)7-6-14-25-22(24)19-8-4-3-5-9-19/h3-5,8-13,17,21,23H,14-16H2,1-2H3