sodium 3-[2-[[3-(4-hexadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]-1,3-thiazol-4-yl]benzenesulfonate

Systemtic Name: sodium 3-[2-[[3-(4-hexadecoxyphenyl)-3-oxidanylidene-propanoyl]amino]-1,3-thiazol-4-yl]benzenesulfonate Openeye Name: sodium 3-[2-[[3-(4-hexadecoxyphenyl)-3-oxo-propanoyl]amino]thiazol-4-yl]benzenesulfonate CAS Name: sodium 3-[2-[[3-(4-hexadecoxyphenyl)-1,3-dioxopropyl]amino]-4-thiazolyl]benzenesulfonate IUPAC Name: sodium 3-[2-[[3-(4-hexadecoxyphenyl)-3-oxopropanoyl]amino]-1,3-thiazol-4-yl]benzenesulfonate Traditional Name: sodium 3-[2-[[3-(4-cetyloxyphenyl)-3-keto-propanoyl]amino]thiazol-4-yl]besylate Formula: C34H45N2NaO6S2 MolecularWeight: 664.85067

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC1=CC=C(C=C1)C(=O)CC(=O)NC2=NC(=CS2)C3=CC(=CC=C3)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C34H46N2O6S2.Na/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-42-29-21-19-27(20-22-29)32(37)25-33(38)36-34-35-31(26-43-34)28-17-16-18-30(24-28)44(39,40)41;/h16-22,24,26H,2-15,23,25H2,1H3,(H,35,36,38)(H,39,40,41);/q;+1/p-1