6-[4-(hexadecanoylamino)phenoxy]-8,8-dimethyl-7-oxidanylidene-6-(phenylcarbamoyl)nonane-2-sulfonic acid

Systemtic Name: 6-[4-(hexadecanoylamino)phenoxy]-8,8-dimethyl-7-oxidanylidene-6-(phenylcarbamoyl)nonane-2-sulfonic acid Openeye Name: 6-[4-(hexadecanoylamino)phenoxy]-8,8-dimethyl-7-oxo-6-(phenylcarbamoyl)nonane-2-sulfonic acid CAS Name: 6-[anilino(oxo)methyl]-8,8-dimethyl-7-oxo-6-[4-(1-oxohexadecylamino)phenoxy]-2-nonanesulfonic acid IUPAC Name: 6-[4-(hexadecanoylamino)phenoxy]-8,8-dimethyl-7-oxo-6-(phenylcarbamoyl)nonane-2-sulfonic acid Traditional Name: 7-keto-8,8-dimethyl-6-(4-palmitamidophenoxy)-6-(phenylcarbamoyl)nonane-2-sulfonic acid Formula: C40H62N2O7S MolecularWeight: 714.99448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)OC(CCCC(C)S(=O)(=O)O)(C(=O)C(C)(C)C)C(=O)NC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC1=CC=C(C=C1)OC(CCCC(C)S(=O)(=O)O)(C(=O)C(C)(C)C)C(=O)NC2=CC=CC=C2

InChI

InChI=1S/C40H62N2O7S/c1-6-7-8-9-10-11-12-13-14-15-16-17-21-26-36(43)41-34-27-29-35(30-28-34)49-40(37(44)39(3,4)5,31-22-23-32(2)50(46,47)48)38(45)42-33-24-19-18-20-25-33/h18-20,24-25,27-30,32H,6-17,21-23,26,31H2,1-5H3,(H,41,43)(H,42,45)(H,46,47,48)