[(3S,5R)-2,2,6,6-tetramethyl-5-prop-2-enoyloxy-heptan-3-yl] benzoate

Systemtic Name: [(3S,5R)-2,2,6,6-tetramethyl-5-prop-2-enoyloxy-heptan-3-yl] benzoate Openeye Name: [(1S,3R)-1-tert-butyl-4,4-dimethyl-3-prop-2-enoyloxy-pentyl] benzoate CAS Name: benzoic acid [(3S,5R)-2,2,6,6-tetramethyl-5-(1-oxoprop-2-enoxy)heptan-3-yl] ester IUPAC Name: [(3S,5R)-2,2,6,6-tetramethyl-5-prop-2-enoyloxyheptan-3-yl] benzoate Traditional Name: benzoic acid [(1S,3R)-3-acryloyloxy-1-tert-butyl-4,4-dimethyl-pentyl] ester Formula: C21H30O4 MolecularWeight: 346.4605

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(CC(C(C)(C)C)OC(=O)C1=CC=CC=C1)OC(=O)C=C

Isomeric SMILES

CC(C)(C)[C@@H](C[C@@H](C(C)(C)C)OC(=O)C1=CC=CC=C1)OC(=O)C=C

InChI

InChI=1S/C21H30O4/c1-8-18(22)24-16(20(2,3)4)14-17(21(5,6)7)25-19(23)15-12-10-9-11-13-15/h8-13,16-17H,1,14H2,2-7H3/t16-,17+/m1/s1