sodium (E)-[1-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methanolate

Systemtic Name: sodium (E)-[1-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-3,5-bis(oxidanylidene)pyrazolidin-4-ylidene]methanolate Openeye Name: sodium (E)-[1-[4-[2-[2,4-bis(1,1-dimethylpropyl)phenoxy]butanoylamino]phenyl]-3,5-dioxo-pyrazolidin-4-ylidene]methanolate CAS Name: sodium (E)-[1-[4-[[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]-1-oxobutyl]amino]phenyl]-3,5-dioxo-4-pyrazolidinylidene]methanolate IUPAC Name: sodium (E)-[1-[4-[2-[2,4-bis(2-methylbutan-2-yl)phenoxy]butanoylamino]phenyl]-3,5-dioxopyrazolidin-4-ylidene]methanolate Traditional Name: sodium (E)-[1-[4-[2-(2,4-ditert-amylphenoxy)butanoylamino]phenyl]-3,5-diketo-pyrazolidin-4-ylidene]methanolate Formula: C30H38N3NaO5 MolecularWeight: 543.62959

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)C(=C[O-])C(=O)N2)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC.[Na+]

Isomeric SMILES

CCC(C(=O)NC1=CC=C(C=C1)N2C(=O)/C(=C/[O-])/C(=O)N2)OC3=C(C=C(C=C3)C(C)(C)CC)C(C)(C)CC.[Na+]

InChI

InChI=1S/C30H39N3O5.Na/c1-8-24(38-25-16-11-19(29(4,5)9-2)17-23(25)30(6,7)10-3)27(36)31-20-12-14-21(15-13-20)33-28(37)22(18-34)26(35)32-33;/h11-18,24,34H,8-10H2,1-7H3,(H,31,36)(H,32,35);/q;+1/p-1/b22-18+;