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

Systemtic Name: 5,8-bis(oxidanyl)-2,6-bis[(4-pentylphenyl)sulfanyl]naphthalene-1,4-dione Openeye Name: 5,8-dihydroxy-2,6-bis[(4-pentylphenyl)sulfanyl]naphthalene-1,4-dione CAS Name: 5,8-dihydroxy-2,6-bis[(4-pentylphenyl)thio]naphthalene-1,4-dione IUPAC Name: 5,8-dihydroxy-2,6-bis[(4-pentylphenyl)sulfanyl]naphthalene-1,4-dione Traditional Name: 2,6-bis[(4-amylphenyl)thio]-5,8-dihydroxy-1,4-naphthoquinone Formula: C32H34O4S2 MolecularWeight: 546.73996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCCCC)O

Isomeric SMILES

CCCCCC1=CC=C(C=C1)SC2=CC(=O)C3=C(C2=O)C(=CC(=C3O)SC4=CC=C(C=C4)CCCCC)O

InChI

InChI=1S/C32H34O4S2/c1-3-5-7-9-21-11-15-23(16-12-21)37-27-19-25(33)30-29(31(27)35)26(34)20-28(32(30)36)38-24-17-13-22(14-18-24)10-8-6-4-2/h11-20,33,35H,3-10H2,1-2H3