2-(2-methylbut-3-en-2-yl)-1,4,5-tris(oxidanyl)xanthen-9-one

Systemtic Name: 2-(2-methylbut-3-en-2-yl)-1,4,5-tris(oxidanyl)xanthen-9-one Openeye Name: 2-(1,1-dimethylallyl)-1,4,5-trihydroxy-xanthen-9-one CAS Name: 1,4,5-trihydroxy-2-(2-methylbut-3-en-2-yl)-9-xanthenone IUPAC Name: 1,4,5-trihydroxy-2-(2-methylbut-3-en-2-yl)xanthen-9-one Traditional Name: 2-(1,1-dimethylallyl)-1,4,5-trihydroxy-xanthone Formula: C18H16O5 MolecularWeight: 312.31664

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O

Isomeric SMILES

CC(C)(C=C)C1=CC(=C2C(=C1O)C(=O)C3=C(O2)C(=CC=C3)O)O

InChI

InChI=1S/C18H16O5/c1-4-18(2,3)10-8-12(20)17-13(15(10)22)14(21)9-6-5-7-11(19)16(9)23-17/h4-8,19-20,22H,1H2,2-3H3