cyclohexa-2,5-diene-1,4-dione; 2-heptadecyl-3-sulfanyl-1H-quinolin-4-one

Systemtic Name: cyclohexa-2,5-diene-1,4-dione; 2-heptadecyl-3-sulfanyl-1H-quinolin-4-one Openeye Name: 1,4-benzoquinone; 2-heptadecyl-3-sulfanyl-1H-quinolin-4-one CAS Name: cyclohexa-2,5-diene-1,4-dione; 2-heptadecyl-3-mercapto-1H-quinolin-4-one IUPAC Name: cyclohexa-2,5-diene-1,4-dione; 2-heptadecyl-3-sulfanyl-1H-quinolin-4-one Traditional Name: 2-heptadecyl-3-mercapto-4-quinolone; p-benzoquinone Formula: C32H45NO3S MolecularWeight: 523.7696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)S.C1=CC(=O)C=CC1=O

Isomeric SMILES

CCCCCCCCCCCCCCCCCC1=C(C(=O)C2=CC=CC=C2N1)S.C1=CC(=O)C=CC1=O

InChI

InChI=1S/C26H41NOS.C6H4O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-24-26(29)25(28)22-19-17-18-20-23(22)27-24;7-5-1-2-6(8)4-3-5/h17-20,29H,2-16,21H2,1H3,(H,27,28);1-4H