2-[[4-(10-methylsulfanyldecoxy)phenyl]amino]naphthalene-1,4-dione

Systemtic Name: 2-[[4-(10-methylsulfanyldecoxy)phenyl]amino]naphthalene-1,4-dione Openeye Name: 2-[4-(10-methylsulfanyldecoxy)anilino]naphthalene-1,4-dione CAS Name: 2-[4-[10-(methylthio)decoxy]anilino]naphthalene-1,4-dione IUPAC Name: 2-[4-(10-methylsulfanyldecoxy)anilino]naphthalene-1,4-dione Traditional Name: 2-[4-[10-(methylthio)decoxy]anilino]-1,4-naphthoquinone Formula: C27H33NO3S MolecularWeight: 451.62082

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCOC1=CC=C(C=C1)NC2=CC(=O)C3=CC=CC=C3C2=O

Isomeric SMILES

CSCCCCCCCCCCOC1=CC=C(C=C1)NC2=CC(=O)C3=CC=CC=C3C2=O

InChI

InChI=1S/C27H33NO3S/c1-32-19-11-7-5-3-2-4-6-10-18-31-22-16-14-21(15-17-22)28-25-20-26(29)23-12-8-9-13-24(23)27(25)30/h8-9,12-17,20,28H,2-7,10-11,18-19H2,1H3