disodium 4-[(4-carboxylato-3,7-dimethyl-octanoyl)amino]benzoate

Systemtic Name: disodium 4-[(4-carboxylato-3,7-dimethyl-octanoyl)amino]benzoate Openeye Name: disodium 4-[(4-carboxylato-3,7-dimethyl-octanoyl)amino]benzoate CAS Name: disodium 4-[(4-carboxylato-3,7-dimethyl-1-oxooctyl)amino]benzoate IUPAC Name: disodium 4-[(4-carboxylato-3,7-dimethyloctanoyl)amino]benzoate Traditional Name: disodium 4-[(4-carboxylato-3,7-dimethyl-octanoyl)amino]benzoate Formula: C18H23NNa2O5 MolecularWeight: 379.35846

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCC(C(C)CC(=O)NC1=CC=C(C=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

Isomeric SMILES

CC(C)CCC(C(C)CC(=O)NC1=CC=C(C=C1)C(=O)[O-])C(=O)[O-].[Na+].[Na+]

InChI

InChI=1S/C18H25NO5.2Na/c1-11(2)4-9-15(18(23)24)12(3)10-16(20)19-14-7-5-13(6-8-14)17(21)22;;/h5-8,11-12,15H,4,9-10H2,1-3H3,(H,19,20)(H,21,22)(H,23,24);;/q;2*+1/p-2