4-heptyl-3-methoxycarbonyl-2,6-bis(oxidanyl)benzoic acid

Systemtic Name: 4-heptyl-3-methoxycarbonyl-2,6-bis(oxidanyl)benzoic acid Openeye Name: 4-heptyl-2,6-dihydroxy-3-methoxycarbonyl-benzoic acid CAS Name: 4-heptyl-2,6-dihydroxy-3-methoxycarbonylbenzoic acid IUPAC Name: 4-heptyl-2,6-dihydroxy-3-methoxycarbonylbenzoic acid Traditional Name: 3-carbomethoxy-4-heptyl-2,6-dihydroxy-benzoic acid Formula: C16H22O6 MolecularWeight: 310.34228

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C(=C1C(=O)OC)O)C(=O)O)O

Isomeric SMILES

CCCCCCCC1=CC(=C(C(=C1C(=O)OC)O)C(=O)O)O

InChI

InChI=1S/C16H22O6/c1-3-4-5-6-7-8-10-9-11(17)13(15(19)20)14(18)12(10)16(21)22-2/h9,17-18H,3-8H2,1-2H3,(H,19,20)