2-butyl-5-[(1S,2S)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene

Systemtic Name: 2-butyl-5-[(1S,2S)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene Openeye Name: 2-butyl-5-[(1S,2S)-6,7-dimethoxy-2-nitro-tetralin-1-yl]thiophene CAS Name: 2-butyl-5-[(1S,2S)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene IUPAC Name: 2-butyl-5-[(1S,2S)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene Traditional Name: 2-butyl-5-[(1S,2S)-6,7-dimethoxy-2-nitro-tetralin-1-yl]thiophene Formula: C20H25NO4S MolecularWeight: 375.4818

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(S1)C2C(CCC3=CC(=C(C=C23)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCC1=CC=C(S1)[C@@H]2[C@H](CCC3=CC(=C(C=C23)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H25NO4S/c1-4-5-6-14-8-10-19(26-14)20-15-12-18(25-3)17(24-2)11-13(15)7-9-16(20)21(22)23/h8,10-12,16,20H,4-7,9H2,1-3H3/t16-,20-/m0/s1