5-dodecylsulfinyl-2,2,3,3-tetrakis(oxidanyl)naphthalene-1,4-dione

Systemtic Name: 5-dodecylsulfinyl-2,2,3,3-tetrakis(oxidanyl)naphthalene-1,4-dione Openeye Name: 5-dodecylsulfinyl-2,2,3,3-tetrahydroxy-tetralin-1,4-dione CAS Name: 5-dodecylsulfinyl-2,2,3,3-tetrahydroxynaphthalene-1,4-dione IUPAC Name: 5-dodecylsulfinyl-2,2,3,3-tetrahydroxynaphthalene-1,4-dione Traditional Name: 2,2,3,3-tetrahydroxy-5-laurylsulfinyl-tetralin-1,4-quinone Formula: C22H32O7S MolecularWeight: 440.55028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCS(=O)C1=CC=CC2=C1C(=O)C(C(C2=O)(O)O)(O)O

Isomeric SMILES

CCCCCCCCCCCCS(=O)C1=CC=CC2=C1C(=O)C(C(C2=O)(O)O)(O)O

InChI

InChI=1S/C22H32O7S/c1-2-3-4-5-6-7-8-9-10-11-15-30(29)17-14-12-13-16-18(17)20(24)22(27,28)21(25,26)19(16)23/h12-14,25-28H,2-11,15H2,1H3