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

Systemtic Name: 5,8-bis(oxidanyl)-2,6-bis[(4-propylphenyl)sulfanyl]naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2,6-bis[(4-propylphenyl)sulfanyl]naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2,6-bis[(4-propylphenyl)thio]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2,6-bis[(4-propylphenyl)sulfanyl]naphthalene-1,4-dione Traditional Name: 5,8-dihydroxy-2,6-bis[(4-propylphenyl)thio]-1,4-naphthoquinone Formula: C28H26O4S2 MolecularWeight: 490.63364

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCC)O

Isomeric SMILES

CCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCC)O

InChI

InChI=1S/C28H26O4S2/c1-3-5-17-7-11-19(12-8-17)33-23-15-21(29)26-25(27(23)31)22(30)16-24(28(26)32)34-20-13-9-18(6-4-2)10-14-20/h7-16,29,31H,3-6H2,1-2H3