6-chloranyl-7-[(4-hexoxyphenyl)amino]-5,8-bis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 6-chloranyl-7-[(4-hexoxyphenyl)amino]-5,8-bis(oxidanyl)naphthalene-1,4-dione Openeye Name: 6-chloro-7-(4-hexoxyanilino)-5,8-dihydroxy-naphthalene-1,4-dione CAS Name: 6-chloro-7-(4-hexoxyanilino)-5,8-dihydroxynaphthalene-1,4-dione IUPAC Name: 6-chloro-7-(4-hexoxyanilino)-5,8-dihydroxynaphthalene-1,4-dione Traditional Name: 6-chloro-7-(4-hexoxyanilino)-5,8-dihydroxy-1,4-naphthoquinone Formula: C22H22ClNO5 MolecularWeight: 415.86678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=C(C=C1)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O

Isomeric SMILES

CCCCCCOC1=CC=C(C=C1)NC2=C(C3=C(C(=O)C=CC3=O)C(=C2Cl)O)O

InChI

InChI=1S/C22H22ClNO5/c1-2-3-4-5-12-29-14-8-6-13(7-9-14)24-20-19(23)21(27)17-15(25)10-11-16(26)18(17)22(20)28/h6-11,24,27-28H,2-5,12H2,1H3