6-(4-nitrophenyl)sulfanyl-2,3-dipropoxy-naphthalene-1,4-dione

Systemtic Name: 6-(4-nitrophenyl)sulfanyl-2,3-dipropoxy-naphthalene-1,4-dione Openeye Name: 6-(4-nitrophenyl)sulfanyl-2,3-dipropoxy-naphthalene-1,4-dione CAS Name: 6-[(4-nitrophenyl)thio]-2,3-dipropoxynaphthalene-1,4-dione IUPAC Name: 6-(4-nitrophenyl)sulfanyl-2,3-dipropoxynaphthalene-1,4-dione Traditional Name: 6-[(4-nitrophenyl)thio]-2,3-dipropoxy-1,4-naphthoquinone Formula: C22H21NO6S MolecularWeight: 427.47024

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)SC3=CC=C(C=C3)[N+](=O)[O-])OCCC

Isomeric SMILES

CCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)SC3=CC=C(C=C3)[N+](=O)[O-])OCCC

InChI

InChI=1S/C22H21NO6S/c1-3-11-28-21-19(24)17-10-9-16(13-18(17)20(25)22(21)29-12-4-2)30-15-7-5-14(6-8-15)23(26)27/h5-10,13H,3-4,11-12H2,1-2H3