sodium 6-methoxy-9-(phenylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate

Systemtic Name: sodium 6-methoxy-9-(phenylcarbonyl)-1,2,3,4-tetrahydrocarbazole-3-carboxylate Openeye Name: sodium 9-benzoyl-6-methoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylate CAS Name: sodium 9-benzoyl-6-methoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylate IUPAC Name: sodium 9-benzoyl-6-methoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylate Traditional Name: sodium 9-benzoyl-6-methoxy-1,2,3,4-tetrahydrocarbazole-3-carboxylate Formula: C21H18NNaO4 MolecularWeight: 371.36169

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)[O-])C(=O)C4=CC=CC=C4.[Na+]

Isomeric SMILES

COC1=CC2=C(C=C1)N(C3=C2CC(CC3)C(=O)[O-])C(=O)C4=CC=CC=C4.[Na+]

InChI

InChI=1S/C21H19NO4.Na/c1-26-15-8-10-19-17(12-15)16-11-14(21(24)25)7-9-18(16)22(19)20(23)13-5-3-2-4-6-13;/h2-6,8,10,12,14H,7,9,11H2,1H3,(H,24,25);/q;+1/p-1