5,8-bis(oxidanyl)-2,6-bis[(4-propoxyphenyl)amino]naphthalene-1,4-dione

Systemtic Name: 5,8-bis(oxidanyl)-2,6-bis[(4-propoxyphenyl)amino]naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2,6-bis(4-propoxyanilino)naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2,6-bis(4-propoxyanilino)naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2,6-bis(4-propoxyanilino)naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2,6-bis(4-propoxyanilino)-1,4-naphthoquinone Formula: C28H28N2O6 MolecularWeight: 488.53172

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)OCCC)O

Isomeric SMILES

CCCOC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)OCCC)O

InChI

InChI=1S/C28H28N2O6/c1-3-13-35-19-9-5-17(6-10-19)29-21-15-23(31)26-25(27(21)33)24(32)16-22(28(26)34)30-18-7-11-20(12-8-18)36-14-4-2/h5-12,15-16,29-31,33H,3-4,13-14H2,1-2H3