sodium 4-[3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]benzoic acid

Systemtic Name: sodium 4-[3-methoxycarbonyl-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]benzoic acid Openeye Name: sodium 4-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]benzoic acid CAS Name: sodium 4-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)-2-isoquinolinyl]benzoic acid IUPAC Name: sodium 4-[3-methoxycarbonyl-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinolin-2-yl]benzoic acid Traditional Name: sodium 4-[3-carbomethoxy-1-keto-4-(3,4,5-trimethoxyphenyl)-2-isoquinolyl]benzoic acid Formula: C27H23NNaO8+ MolecularWeight: 512.46319

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)O)C(=O)OC.[Na+]

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=C(C=C4)C(=O)O)C(=O)OC.[Na+]

InChI

InChI=1S/C27H23NO8.Na/c1-33-20-13-16(14-21(34-2)24(20)35-3)22-18-7-5-6-8-19(18)25(29)28(23(22)27(32)36-4)17-11-9-15(10-12-17)26(30)31;/h5-14H,1-4H3,(H,30,31);/q;+1