[4-acetyloxy-6-(4-nitrophenyl)sulfinyl-2,3-dipropoxy-naphthalen-1-yl] ethanoate

Systemtic Name: [4-acetyloxy-6-(4-nitrophenyl)sulfinyl-2,3-dipropoxy-naphthalen-1-yl] ethanoate Openeye Name: [4-acetoxy-6-(4-nitrophenyl)sulfinyl-2,3-dipropoxy-1-naphthyl] acetate CAS Name: acetic acid [4-acetyloxy-6-(4-nitrophenyl)sulfinyl-2,3-dipropoxy-1-naphthalenyl] ester IUPAC Name: [4-acetyloxy-6-(4-nitrophenyl)sulfinyl-2,3-dipropoxynaphthalen-1-yl] acetate Traditional Name: acetic acid [4-acetoxy-6-(4-nitrophenyl)sulfinyl-2,3-dipropoxy-1-naphthyl] ester Formula: C26H27NO9S MolecularWeight: 529.55888

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C2=C(C=C(C=C2)S(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=C1OCCC)OC(=O)C)OC(=O)C

Isomeric SMILES

CCCOC1=C(C2=C(C=C(C=C2)S(=O)C3=CC=C(C=C3)[N+](=O)[O-])C(=C1OCCC)OC(=O)C)OC(=O)C

InChI

InChI=1S/C26H27NO9S/c1-5-13-33-25-23(35-16(3)28)21-12-11-20(37(32)19-9-7-18(8-10-19)27(30)31)15-22(21)24(36-17(4)29)26(25)34-14-6-2/h7-12,15H,5-6,13-14H2,1-4H3