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

Systemtic Name: 2-[(1S,2S)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]-5-hexyl-thiophene Openeye Name: 2-[(1S,2S)-6,7-dimethoxy-2-nitro-tetralin-1-yl]-5-hexyl-thiophene CAS Name: 2-[(1S,2S)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]-5-hexylthiophene IUPAC Name: 2-[(1S,2S)-6,7-dimethoxy-2-nitro-1,2,3,4-tetrahydronaphthalen-1-yl]-5-hexylthiophene Traditional Name: 2-[(1S,2S)-6,7-dimethoxy-2-nitro-tetralin-1-yl]-5-hexyl-thiophene Formula: C22H29NO4S MolecularWeight: 403.53496

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(S1)C2C(CCC3=CC(=C(C=C23)OC)OC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(S1)[C@@H]2[C@H](CCC3=CC(=C(C=C23)OC)OC)[N+](=O)[O-]

InChI

InChI=1S/C22H29NO4S/c1-4-5-6-7-8-16-10-12-21(28-16)22-17-14-20(27-3)19(26-2)13-15(17)9-11-18(22)23(24)25/h10,12-14,18,22H,4-9,11H2,1-3H3/t18-,22-/m0/s1