2,3-dipentoxy-6-pyridin-2-ylsulfanyl-naphthalene-1,4-dione

Systemtic Name: 2,3-dipentoxy-6-pyridin-2-ylsulfanyl-naphthalene-1,4-dione Openeye Name: 2,3-dipentoxy-6-(2-pyridylsulfanyl)naphthalene-1,4-dione CAS Name: 2,3-dipentoxy-6-(2-pyridinylthio)naphthalene-1,4-dione IUPAC Name: 2,3-dipentoxy-6-pyridin-2-ylsulfanylnaphthalene-1,4-dione Traditional Name: 2,3-diamoxy-6-(2-pyridylthio)-1,4-naphthoquinone Formula: C25H29NO4S MolecularWeight: 439.56706

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)SC3=CC=CC=N3)OCCCCC

Isomeric SMILES

CCCCCOC1=C(C(=O)C2=C(C1=O)C=CC(=C2)SC3=CC=CC=N3)OCCCCC

InChI

InChI=1S/C25H29NO4S/c1-3-5-9-15-29-24-22(27)19-13-12-18(31-21-11-7-8-14-26-21)17-20(19)23(28)25(24)30-16-10-6-4-2/h7-8,11-14,17H,3-6,9-10,15-16H2,1-2H3