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

Systemtic Name: 7-azanyl-6-octadecanoyl-3',6'-bis(oxidanyl)spiro[2-benzofuran-3,9'-xanthene]-1-one Openeye Name: 7-amino-3',6'-dihydroxy-6-octadecanoyl-spiro[isobenzofuran-3,9'-xanthene]-1-one CAS Name: 7-amino-3',6'-dihydroxy-6-(1-oxooctadecyl)-1-spiro[isobenzofuran-3,9'-xanthene]one IUPAC Name: 7-amino-3',6'-dihydroxy-6-octadecanoylspiro[2-benzofuran-3,9'-xanthene]-1-one Traditional Name: 7-amino-3',6'-dihydroxy-6-stearoyl-spiro[phthalan-3,9'-xanthene]-1-one Formula: C38H47NO6 MolecularWeight: 613.78288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)C1=C(C2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)C1=C(C2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)N

InChI

InChI=1S/C38H47NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-32(42)28-20-23-31-35(36(28)39)37(43)45-38(31)29-21-18-26(40)24-33(29)44-34-25-27(41)19-22-30(34)38/h18-25,40-41H,2-17,39H2,1H3