[2-azanyloxy-6-(hydroxymethyl)-2-[2-(7-phenylheptanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 7-phenylheptanoate

Systemtic Name: [2-azanyloxy-6-(hydroxymethyl)-2-[2-(7-phenylheptanoyloxy)tetradecanoyl]-5-sulfooxy-oxan-4-yl] 7-phenylheptanoate Openeye Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(7-phenylheptanoyloxy)tetradecanoyl]-5-sulfooxy-tetrahydropyran-4-yl] 7-phenylheptanoate CAS Name: 7-phenylheptanoic acid [2-aminooxy-6-(hydroxymethyl)-2-[1-oxo-2-(1-oxo-7-phenylheptoxy)tetradecyl]-5-sulfooxy-4-oxanyl] ester IUPAC Name: [2-aminooxy-6-(hydroxymethyl)-2-[2-(7-phenylheptanoyloxy)tetradecanoyl]-5-sulfooxyoxan-4-yl] 7-phenylheptanoate Traditional Name: 7-phenylenanthic acid [2-aminooxy-6-methylol-2-[2-(7-phenylheptanoyloxy)tetradecanoyl]-5-sulfoxy-tetrahydropyran-4-yl] ester Formula: C46H71NO12S MolecularWeight: 862.12044

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCC2=CC=CC=C2)ON)OC(=O)CCCCCCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C1(CC(C(C(O1)CO)OS(=O)(=O)O)OC(=O)CCCCCCC2=CC=CC=C2)ON)OC(=O)CCCCCCC3=CC=CC=C3

InChI

InChI=1S/C46H71NO12S/c1-2-3-4-5-6-7-8-9-10-23-32-39(55-42(49)33-24-13-11-17-26-37-28-19-15-20-29-37)45(51)46(59-47)35-40(44(41(36-48)57-46)58-60(52,53)54)56-43(50)34-25-14-12-18-27-38-30-21-16-22-31-38/h15-16,19-22,28-31,39-41,44,48H,2-14,17-18,23-27,32-36,47H2,1H3,(H,52,53,54)