sodium 3-(2-methyloctyl)-1,4-bis(oxidanylidene)naphthalen-2-olate

Systemtic Name: sodium 3-(2-methyloctyl)-1,4-bis(oxidanylidene)naphthalen-2-olate Openeye Name: sodium 3-(2-methyloctyl)-1,4-dioxo-naphthalen-2-olate CAS Name: sodium 3-(2-methyloctyl)-1,4-dioxo-2-naphthalenolate IUPAC Name: sodium 3-(2-methyloctyl)-1,4-dioxonaphthalen-2-olate Traditional Name: sodium 1,4-diketo-3-(2-methyloctyl)naphthalen-2-olate Formula: C19H23NaO3 MolecularWeight: 322.37389

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)CC1=C(C(=O)C2=CC=CC=C2C1=O)[O-].[Na+]

Isomeric SMILES

CCCCCCC(C)CC1=C(C(=O)C2=CC=CC=C2C1=O)[O-].[Na+]

InChI

InChI=1S/C19H24O3.Na/c1-3-4-5-6-9-13(2)12-16-17(20)14-10-7-8-11-15(14)18(21)19(16)22;/h7-8,10-11,13,22H,3-6,9,12H2,1-2H3;/q;+1/p-1