7-octadecan-2-yl-8-oxidanyl-isochromen-1-one

Systemtic Name: 7-octadecan-2-yl-8-oxidanyl-isochromen-1-one Openeye Name: 8-hydroxy-7-(1-methylheptadecyl)isochromen-1-one CAS Name: 8-hydroxy-7-octadecan-2-yl-2-benzopyran-1-one IUPAC Name: 8-hydroxy-7-octadecan-2-ylisochromen-1-one Traditional Name: 8-hydroxy-7-(1-methylheptadecyl)isocoumarin Formula: C27H42O3 MolecularWeight: 414.62058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCC(C)C1=C(C2=C(C=C1)C=COC2=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCC(C)C1=C(C2=C(C=C1)C=COC2=O)O

InChI

InChI=1S/C27H42O3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22(2)24-19-18-23-20-21-30-27(29)25(23)26(24)28/h18-22,28H,3-17H2,1-2H3