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

Systemtic Name: 2,6-bis[(4-octoxyphenyl)amino]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2,6-bis(4-octoxyanilino)naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2,6-bis(4-octoxyanilino)naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2,6-bis(4-octoxyanilino)naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2,6-bis(4-octoxyanilino)-1,4-naphthoquinone Formula: C38H48N2O6 MolecularWeight: 628.79752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)OCCCCCCCC)O

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)NC2=CC(=C3C(=C2O)C(=O)C=C(C3=O)NC4=CC=C(C=C4)OCCCCCCCC)O

InChI

InChI=1S/C38H48N2O6/c1-3-5-7-9-11-13-23-45-29-19-15-27(16-20-29)39-31-25-33(41)36-35(37(31)43)34(42)26-32(38(36)44)40-28-17-21-30(22-18-28)46-24-14-12-10-8-6-4-2/h15-22,25-26,39-41,43H,3-14,23-24H2,1-2H3