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

Systemtic Name: [2-acetyloxy-5-(3,5,7-triacetyloxy-4-oxidanylidene-chromen-2-yl)phenyl] 4-azanylbenzoate hydrochloride Openeye Name: [2-acetoxy-5-(3,5,7-triacetoxy-4-oxo-chromen-2-yl)phenyl] 4-aminobenzoate hydrochloride CAS Name: 4-aminobenzoic 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] 4-aminobenzoate hydrochloride Traditional Name: 4-aminobenzoic acid [2-acetoxy-5-(3,5,7-triacetoxy-4-keto-chromen-2-yl)phenyl] ester hydrochloride Formula: C30H24ClNO12 MolecularWeight: 625.96406

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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)C4=CC=C(C=C4)N.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)C4=CC=C(C=C4)N.Cl

InChI

InChI=1S/C30H23NO12.ClH/c1-14(32)38-21-12-24(40-16(3)34)26-25(13-21)42-28(29(27(26)36)41-17(4)35)19-7-10-22(39-15(2)33)23(11-19)43-30(37)18-5-8-20(31)9-6-18;/h5-13H,31H2,1-4H3;1H