6,7-bis(chloranyl)-2-ethoxy-5,8-bis(oxidanyl)-3-pentadecyl-naphthalene-1,4-dione

Systemtic Name: 6,7-bis(chloranyl)-2-ethoxy-5,8-bis(oxidanyl)-3-pentadecyl-naphthalene-1,4-dione Openeye Name: 6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-pentadecyl-naphthalene-1,4-dione CAS Name: 6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-pentadecylnaphthalene-1,4-dione IUPAC Name: 6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-pentadecylnaphthalene-1,4-dione Traditional Name: 6,7-dichloro-2-ethoxy-5,8-dihydroxy-3-pentadecyl-1,4-naphthoquinone Formula: C27H38Cl2O5 MolecularWeight: 513.49362

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)Cl)O)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=C(C(=O)C2=C(C1=O)C(=C(C(=C2O)Cl)Cl)O)OCC

InChI

InChI=1S/C27H38Cl2O5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23(30)19-20(26(33)27(18)34-4-2)25(32)22(29)21(28)24(19)31/h31-32H,3-17H2,1-2H3