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

Systemtic Name: 3-[[2-methoxy-5-(nonadecanoylamino)phenyl]carbamoyl]-4-oxidanyl-naphthalene-1-sulfonic acid Openeye Name: 4-hydroxy-3-[[2-methoxy-5-(nonadecanoylamino)phenyl]carbamoyl]naphthalene-1-sulfonic acid CAS Name: 4-hydroxy-3-[[2-methoxy-5-(1-oxononadecylamino)anilino]-oxomethyl]-1-naphthalenesulfonic acid IUPAC Name: 4-hydroxy-3-[[2-methoxy-5-(nonadecanoylamino)phenyl]carbamoyl]naphthalene-1-sulfonic acid Traditional Name: 4-hydroxy-3-[[2-methoxy-5-(nonadecanoylamino)phenyl]carbamoyl]naphthalene-1-sulfonic acid Formula: C37H52N2O7S MolecularWeight: 668.88298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C37H52N2O7S/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-35(40)38-28-24-25-33(46-2)32(26-28)39-37(42)31-27-34(47(43,44)45)29-21-19-20-22-30(29)36(31)41/h19-22,24-27,41H,3-18,23H2,1-2H3,(H,38,40)(H,39,42)(H,43,44,45)