3-[[1-(octadecanoylamino)naphthalen-2-yl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 3-[[1-(octadecanoylamino)naphthalen-2-yl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-3-[[1-(octadecanoylamino)-2-naphthyl]carbamoyl]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-3-[oxo-[[1-(1-oxooctadecylamino)-2-naphthalenyl]amino]methyl]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-3-[[1-(octadecanoylamino)naphthalen-2-yl]carbamoyl]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-3-[(1-stearamido-2-naphthyl)carbamoyl]naphthalene-1-sulfonic acid Formula: C39H50N2O6S MolecularWeight: 674.8891

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)NC1=C(C=CC2=CC=CC=C21)NC(=O)C3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)NC1=C(C=CC2=CC=CC=C21)NC(=O)C3=C(C4=CC=CC=C4C(=C3)S(=O)(=O)O)O

InChI

InChI=1S/C39H50N2O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-25-36(42)41-37-30-22-18-17-21-29(30)26-27-34(37)40-39(44)33-28-35(48(45,46)47)31-23-19-20-24-32(31)38(33)43/h17-24,26-28,43H,2-16,25H2,1H3,(H,40,44)(H,41,42)(H,45,46,47)