(3S,6R)-10-methyl-3-oxidanyl-6-phenylmethoxy-undecanoic acid

Systemtic Name: (3S,6R)-10-methyl-3-oxidanyl-6-phenylmethoxy-undecanoic acid Openeye Name: (3S,6R)-6-benzyloxy-3-hydroxy-10-methyl-undecanoic acid CAS Name: (3S,6R)-3-hydroxy-10-methyl-6-phenylmethoxyundecanoic acid IUPAC Name: (3S,6R)-3-hydroxy-10-methyl-6-phenylmethoxyundecanoic acid Traditional Name: (3S,6R)-6-benzoxy-3-hydroxy-10-methyl-undecanoic acid Formula: C19H30O4 MolecularWeight: 322.4391

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H30O4/c1-15(2)7-6-10-18(12-11-17(20)13-19(21)22)23-14-16-8-4-3-5-9-16/h3-5,8-9,15,17-18,20H,6-7,10-14H2,1-2H3,(H,21,22)/t17-,18+/m0/s1