(2Z)-5-(pentadecan-7-ylperoxymethyl)-2-(sulfanylmethylidene)indene-1,3-dione

Systemtic Name: (2Z)-5-(pentadecan-7-ylperoxymethyl)-2-(sulfanylmethylidene)indene-1,3-dione Openeye Name: (2Z)-5-(1-hexylnonylperoxymethyl)-2-(sulfanylmethylene)indane-1,3-dione CAS Name: (2Z)-2-(mercaptomethylidene)-5-(pentadecan-7-yldioxymethyl)indene-1,3-dione IUPAC Name: (2Z)-5-(pentadecan-7-ylperoxymethyl)-2-(sulfanylmethylidene)indene-1,3-dione Traditional Name: (2Z)-5-(1-hexylnonylperoxymethyl)-2-(mercaptomethylene)indane-1,3-quinone Formula: C26H38O4S MolecularWeight: 446.64252

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC(CCCCCC)OOCC1=CC2=C(C=C1)C(=O)C(=CS)C2=O

Isomeric SMILES

CCCCCCCCC(CCCCCC)OOCC1=CC2=C(C=C1)C(=O)/C(=C/S)/C2=O

InChI

InChI=1S/C26H38O4S/c1-3-5-7-9-10-12-14-21(13-11-8-6-4-2)30-29-18-20-15-16-22-23(17-20)26(28)24(19-31)25(22)27/h15-17,19,21,31H,3-14,18H2,1-2H3/b24-19-