5-chloranyl-6-(phenylmethoxycarbonylamino)naphthalene-2-sulfonic acid

Systemtic Name: 5-chloranyl-6-(phenylmethoxycarbonylamino)naphthalene-2-sulfonic acid Openeye Name: 6-(benzyloxycarbonylamino)-5-chloro-naphthalene-2-sulfonic acid CAS Name: 5-chloro-6-(phenylmethoxycarbonylamino)-2-naphthalenesulfonic acid IUPAC Name: 5-chloro-6-(phenylmethoxycarbonylamino)naphthalene-2-sulfonic acid Traditional Name: 6-(benzyloxycarbonylamino)-5-chloro-naphthalene-2-sulfonic acid Formula: C18H14ClNO5S MolecularWeight: 391.82546

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)NC2=C(C3=C(C=C2)C=C(C=C3)S(=O)(=O)O)Cl

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)NC2=C(C3=C(C=C2)C=C(C=C3)S(=O)(=O)O)Cl

InChI

InChI=1S/C18H14ClNO5S/c19-17-15-8-7-14(26(22,23)24)10-13(15)6-9-16(17)20-18(21)25-11-12-4-2-1-3-5-12/h1-10H,11H2,(H,20,21)(H,22,23,24)