(3S)-7-phenyl-3-propan-2-yl-hept-4-ynoic acid

Systemtic Name: (3S)-7-phenyl-3-propan-2-yl-hept-4-ynoic acid Openeye Name: (3S)-3-isopropyl-7-phenyl-hept-4-ynoic acid CAS Name: (3S)-7-phenyl-3-propan-2-yl-4-heptynoic acid IUPAC Name: (3S)-7-phenyl-3-propan-2-ylhept-4-ynoic acid Traditional Name: (3S)-3-isopropyl-7-phenyl-hept-4-ynoic acid Formula: C16H20O2 MolecularWeight: 244.3288

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CC(=O)O)C#CCCC1=CC=CC=C1

Isomeric SMILES

CC(C)[C@H](CC(=O)O)C#CCCC1=CC=CC=C1

InChI

InChI=1S/C16H20O2/c1-13(2)15(12-16(17)18)11-7-6-10-14-8-4-3-5-9-14/h3-5,8-9,13,15H,6,10,12H2,1-2H3,(H,17,18)/t15-/m0/s1