disodium 2-azanyl-N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-butyl-naphthalen-2-yl]-2-oxidanylidene-ethanimidate

Systemtic Name: disodium 2-azanyl-N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-butyl-naphthalen-2-yl]-2-oxidanylidene-ethanimidate Openeye Name: disodium 2-amino-N-[3-[2,4-bis(1,1-dimethylpropyl)phenoxy]-1-butyl-2-naphthyl]-2-oxo-ethanimidate CAS Name: disodium 2-amino-N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-butyl-2-naphthalenyl]-2-oxoethanimidate IUPAC Name: disodium 2-amino-N-[3-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-butylnaphthalen-2-yl]-2-oxoethanimidate Traditional Name: disodium 2-amino-N-[1-butyl-3-(2,4-ditert-amylphenoxy)-2-naphthyl]-2-keto-acetimidate Formula: C64H82N4Na2O6 MolecularWeight: 1049.33862

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=CC2=CC=CC=C21)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)N=C(C(=O)N)[O-].CCCCC1=C(C(=CC2=CC=CC=C21)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)N=C(C(=O)N)[O-].[Na+].[Na+]

Isomeric SMILES

CCCCC1=C(C(=CC2=CC=CC=C21)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)N=C(C(=O)N)[O-].CCCCC1=C(C(=CC2=CC=CC=C21)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC)N=C(C(=O)N)[O-].[Na+].[Na+]

InChI

InChI=1S/2C32H42N2O3.2Na/c2*1-8-11-15-24-23-16-13-12-14-21(23)19-27(28(24)34-30(36)29(33)35)37-26-18-17-22(31(4,5)9-2)20-25(26)32(6,7)10-3;;/h2*12-14,16-20H,8-11,15H2,1-7H3,(H2,33,35)(H,34,36);;/q;;2*+1/p-2