7-hexadecanoyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one

Systemtic Name: 7-hexadecanoyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 7-hexadecanoyl-3',6'-dihydroxy-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 3',6'-dihydroxy-7-(1-oxohexadecyl)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 7-hexadecanoyl-3',6'-dihydroxyspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-hexadecanoyl-3',6'-dihydroxy-spiro[phthalan-3,9'-xanthene]-1-one Formula: C36H42O6 MolecularWeight: 570.71508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)C1=C2C(=CC=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)C1=C2C(=CC=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O

InChI

InChI=1S/C36H42O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-18-31(39)27-16-15-17-30-34(27)35(40)42-36(30)28-21-19-25(37)23-32(28)41-33-24-26(38)20-22-29(33)36/h15-17,19-24,37-38H,2-14,18H2,1H3