6,8-bis[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate

Systemtic Name: 6,8-bis[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxidanylidene-2-phenyl-chromene-5,7-diolate Openeye Name: 6,8-bis[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-2-phenyl-chromene-5,7-diolate CAS Name: 6,8-bis[[4-(2-hydroxyethyl)-1-piperazin-1-iumyl]methyl]-4-oxo-2-phenyl-1-benzopyran-5,7-diolate IUPAC Name: 6,8-bis[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-oxo-2-phenylchromene-5,7-diolate Traditional Name: 6,8-bis[[4-(2-hydroxyethyl)piperazin-1-ium-1-yl]methyl]-4-keto-2-phenyl-chromene-5,7-diolate Formula: C29H38N4O6 MolecularWeight: 538.63522

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=C(C(=C3C(=C2[O-])C(=O)C=C(O3)C4=CC=CC=C4)C[NH+]5CCN(CC5)CCO)[O-])CCO

Isomeric SMILES

C1CN(CC[NH+]1CC2=C(C(=C3C(=C2[O-])C(=O)C=C(O3)C4=CC=CC=C4)C[NH+]5CCN(CC5)CCO)[O-])CCO

InChI

InChI=1S/C29H38N4O6/c34-16-14-30-6-10-32(11-7-30)19-22-27(37)23(20-33-12-8-31(9-13-33)15-17-35)29-26(28(22)38)24(36)18-25(39-29)21-4-2-1-3-5-21/h1-5,18,34-35,37-38H,6-17,19-20H2