[4-[[2-azanylethoxy(oxidanyl)phosphoryl]oxy-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]amino]-3-hexadecanoyloxy-4-sulfanylidene-butan-2-yl] hexadecanoate

Systemtic Name: [4-[[2-azanylethoxy(oxidanyl)phosphoryl]oxy-[3',6'-bis(oxidanyl)-3-oxidanylidene-spiro[2-benzofuran-1,9'-xanthene]-5-yl]amino]-3-hexadecanoyloxy-4-sulfanylidene-butan-2-yl] hexadecanoate Openeye Name: [3-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-(3',6'-dihydroxy-3-oxo-spiro[isobenzofuran-1,9'-xanthene]-5-yl)amino]-2-hexadecanoyloxy-1-methyl-3-thioxo-propyl] hexadecanoate CAS Name: hexadecanoic acid [4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-(3',6'-dihydroxy-3-oxo-5-spiro[isobenzofuran-1,9'-xanthene]yl)amino]-3-(1-oxohexadecoxy)-4-sulfanylidenebutan-2-yl] ester IUPAC Name: [4-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)amino]-3-hexadecanoyloxy-4-sulfanylidenebutan-2-yl] hexadecanoate Traditional Name: palmitic acid [3-[[2-aminoethoxy(hydroxy)phosphoryl]oxy-(3',6'-dihydroxy-3-keto-spiro[phthalan-1,9'-xanthene]-5-yl)amino]-2-hexadecanoyloxy-1-methyl-3-thioxo-propyl] ester Formula: C58H85N2O13PS MolecularWeight: 1081.339861

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)C(C(=S)N(C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)OP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)C(C(=S)N(C1=CC2=C(C=C1)C3(C4=C(C=C(C=C4)O)OC5=C3C=CC(=C5)O)OC2=O)OP(=O)(O)OCCN)OC(=O)CCCCCCCCCCCCCCC

InChI

InChI=1S/C58H85N2O13PS/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-53(63)69-43(3)55(71-54(64)31-29-27-25-23-21-19-17-15-13-11-9-7-5-2)56(75)60(73-74(66,67)68-39-38-59)44-32-35-48-47(40-44)57(65)72-58(48)49-36-33-45(61)41-51(49)70-52-42-46(62)34-37-50(52)58/h32-37,40-43,55,61-62H,4-31,38-39,59H2,1-3H3,(H,66,67)