[2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] 6-azanylhexanoate hydrochloride

Systemtic Name: [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] 6-azanylhexanoate hydrochloride Openeye Name: [2-acetoxy-5-(3,5,7-triacetoxy-4-oxo-chromen-2-yl)phenyl] 6-aminohexanoate hydrochloride CAS Name: 6-aminohexanoic acid [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxo-1-benzopyran-2-yl)phenyl] ester hydrochloride IUPAC Name: [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] 6-aminohexanoate hydrochloride Traditional Name: 6-aminohexanoic acid [2-acetoxy-5-(3,5,7-triacetoxy-4-keto-chromen-2-yl)phenyl] ester hydrochloride Formula: C29H30ClNO12 MolecularWeight: 620.001

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)CCCCCN.Cl

Isomeric SMILES

CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C=C(C=C3O2)OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)CCCCCN.Cl

InChI

InChI=1S/C29H29NO12.ClH/c1-15(31)37-20-13-23(39-17(3)33)26-24(14-20)42-28(29(27(26)36)40-18(4)34)19-9-10-21(38-16(2)32)22(12-19)41-25(35)8-6-5-7-11-30;/h9-10,12-14H,5-8,11,30H2,1-4H3;1H