3-[[5-(nonadecanoylamino)-2-oxidanyl-phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid

Systemtic Name: 3-[[5-(nonadecanoylamino)-2-oxidanyl-phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-3-[[2-hydroxy-5-(nonadecanoylamino)phenyl]carbamoyl]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-3-[[2-hydroxy-5-(1-oxononadecylamino)anilino]-oxomethyl]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-3-[[2-hydroxy-5-(nonadecanoylamino)phenyl]carbamoyl]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-3-[[2-hydroxy-5-(nonadecanoylamino)phenyl]carbamoyl]naphthalene-1-sulfonic acid Formula: C36H50N2O7S MolecularWeight: 654.8564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCC(=O)NC1=CC(=C(C=C1)O)NC(=O)C2=C(C3=CC=CC=C3C(=C2)S(=O)(=O)O)O

InChI

InChI=1S/C36H50N2O7S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-34(40)37-27-23-24-32(39)31(25-27)38-36(42)30-26-33(46(43,44)45)28-20-18-19-21-29(28)35(30)41/h18-21,23-26,39,41H,2-17,22H2,1H3,(H,37,40)(H,38,42)(H,43,44,45)