(E,2R,3R,6S)-3,6,7-trimethyl-7-phenylmethoxy-2-prop-1-en-2-yl-oct-4-enoic acid

Systemtic Name: (E,2R,3R,6S)-3,6,7-trimethyl-7-phenylmethoxy-2-prop-1-en-2-yl-oct-4-enoic acid Openeye Name: (E,2R,3R,6S)-7-benzyloxy-2-isopropenyl-3,6,7-trimethyl-oct-4-enoic acid CAS Name: (E,2R,3R,6S)-3,6,7-trimethyl-2-(1-methylethenyl)-7-phenylmethoxy-4-octenoic acid IUPAC Name: (E,2R,3R,6S)-3,6,7-trimethyl-7-phenylmethoxy-2-prop-1-en-2-yloct-4-enoic acid Traditional Name: (E,2R,3R,6S)-7-benzoxy-2-isopropenyl-3,6,7-trimethyl-oct-4-enoic acid Formula: C21H30O3 MolecularWeight: 330.4611

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Descriptors Computed from Structure

Canonical SMILES:

CC(C=CC(C)C(C)(C)OCC1=CC=CC=C1)C(C(=C)C)C(=O)O

Isomeric SMILES

C[C@H](/C=C/[C@H](C)C(C)(C)OCC1=CC=CC=C1)[C@H](C(=C)C)C(=O)O

InChI

InChI=1S/C21H30O3/c1-15(2)19(20(22)23)16(3)12-13-17(4)21(5,6)24-14-18-10-8-7-9-11-18/h7-13,16-17,19H,1,14H2,2-6H3,(H,22,23)/b13-12+/t16-,17+,19+/m1/s1