(2E,4E,6E,8E)-2,3-dimethyl-9-(3-methyl-5-nitro-thiophen-2-yl)nona-2,4,6,8-tetraenoic acid

Systemtic Name: (2E,4E,6E,8E)-2,3-dimethyl-9-(3-methyl-5-nitro-thiophen-2-yl)nona-2,4,6,8-tetraenoic acid Openeye Name: (2E,4E,6E,8E)-2,3-dimethyl-9-(3-methyl-5-nitro-2-thienyl)nona-2,4,6,8-tetraenoic acid CAS Name: (2E,4E,6E,8E)-2,3-dimethyl-9-(3-methyl-5-nitro-2-thiophenyl)nona-2,4,6,8-tetraenoic acid IUPAC Name: (2E,4E,6E,8E)-2,3-dimethyl-9-(3-methyl-5-nitrothiophen-2-yl)nona-2,4,6,8-tetraenoic acid Traditional Name: (2E,4E,6E,8E)-2,3-dimethyl-9-(3-methyl-5-nitro-2-thienyl)nona-2,4,6,8-tetraenoic acid Formula: C16H17NO4S MolecularWeight: 319.37548

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1)[N+](=O)[O-])C=CC=CC=CC(=C(C)C(=O)O)C

Isomeric SMILES

CC1=C(SC(=C1)[N+](=O)[O-])/C=C/C=C/C=C/C(=C(\C)/C(=O)O)/C

InChI

InChI=1S/C16H17NO4S/c1-11(13(3)16(18)19)8-6-4-5-7-9-14-12(2)10-15(22-14)17(20)21/h4-10H,1-3H3,(H,18,19)/b5-4+,8-6+,9-7+,13-11+