1-pentadecyldibenzo-p-dioxin-2,3-diol

Systemtic Name: 1-pentadecyldibenzo-p-dioxin-2,3-diol Openeye Name: 1-pentadecyldibenzo-p-dioxin-2,3-diol CAS Name: 1-pentadecyldibenzo-p-dioxin-2,3-diol IUPAC Name: 1-pentadecyldibenzo-p-dioxin-2,3-diol Traditional Name: 1-pentadecyldibenzo-p-dioxin-2,3-diol Formula: C27H38O4 MolecularWeight: 426.58822

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C2C(=CC(=C1O)O)OC3=CC=CC=C3O2

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C2C(=CC(=C1O)O)OC3=CC=CC=C3O2

InChI

InChI=1S/C27H38O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-21-26(29)22(28)20-25-27(21)31-24-19-16-15-18-23(24)30-25/h15-16,18-20,28-29H,2-14,17H2,1H3