[6-(3-acetyloxy-4-hexoxy-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate

Systemtic Name: [6-(3-acetyloxy-4-hexoxy-2-oxidanylidene-chromen-7-yl)oxy-3,4,5-tris(phenylcarbonyloxy)oxan-2-yl]methyl benzoate Openeye Name: [6-(3-acetoxy-4-hexoxy-2-oxo-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl benzoate CAS Name: benzoic acid [6-[(3-acetyloxy-4-hexoxy-2-oxo-1-benzopyran-7-yl)oxy]-3,4,5-tribenzoyloxy-2-oxanyl]methyl ester IUPAC Name: [6-(3-acetyloxy-4-hexoxy-2-oxochromen-7-yl)oxy-3,4,5-tribenzoyloxyoxan-2-yl]methyl benzoate Traditional Name: benzoic acid [6-(3-acetoxy-4-hexoxy-2-keto-chromen-7-yl)oxy-3,4,5-tribenzoyloxy-tetrahydropyran-2-yl]methyl ester Formula: C51H46O15 MolecularWeight: 898.90194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C

Isomeric SMILES

CCCCCCOC1=C(C(=O)OC2=C1C=CC(=C2)OC3C(C(C(C(O3)COC(=O)C4=CC=CC=C4)OC(=O)C5=CC=CC=C5)OC(=O)C6=CC=CC=C6)OC(=O)C7=CC=CC=C7)OC(=O)C

InChI

InChI=1S/C51H46O15/c1-3-4-5-18-29-58-41-38-28-27-37(30-39(38)62-50(57)44(41)60-32(2)52)61-51-45(66-49(56)36-25-16-9-17-26-36)43(65-48(55)35-23-14-8-15-24-35)42(64-47(54)34-21-12-7-13-22-34)40(63-51)31-59-46(53)33-19-10-6-11-20-33/h6-17,19-28,30,40,42-43,45,51H,3-5,18,29,31H2,1-2H3