7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecyl-phenoxazin-3-one

Systemtic Name: 7-[6-(hydroxymethyl)-3,4,5-tris(oxidanyl)oxan-2-yl]oxy-2-octadecyl-phenoxazin-3-one Openeye Name: 2-octadecyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)tetrahydropyran-2-yl]oxy-phenoxazin-3-one CAS Name: 2-octadecyl-7-[[3,4,5-trihydroxy-6-(hydroxymethyl)-2-oxanyl]oxy]-3-phenoxazinone IUPAC Name: 2-octadecyl-7-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenoxazin-3-one Traditional Name: 2-stearyl-7-(3,4,5-trihydroxy-6-methylol-tetrahydropyran-2-yl)oxy-phenoxazin-3-one Formula: C36H53NO8 MolecularWeight: 627.80792

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC1=CC2=NC3=C(C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC2=CC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC1=CC2=NC3=C(C=C(C=C3)OC4C(C(C(C(O4)CO)O)O)O)OC2=CC1=O

InChI

InChI=1S/C36H53NO8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-21-28-31(23-29(25)39)44-30-22-26(19-20-27(30)37-28)43-36-35(42)34(41)33(40)32(24-38)45-36/h19-23,32-36,38,40-42H,2-18,24H2,1H3