6,6,9-trimethyl-3-(6-nitrohex-2-ynyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol

Systemtic Name: 6,6,9-trimethyl-3-(6-nitrohex-2-ynyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol Openeye Name: 6,6,9-trimethyl-3-(6-nitrohex-2-ynyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol CAS Name: 6,6,9-trimethyl-3-(6-nitrohex-2-ynyl)-6a,7,10,10a-tetrahydrobenzo[c][1]benzopyran-1-ol IUPAC Name: 6,6,9-trimethyl-3-(6-nitrohex-2-ynyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol Traditional Name: 6,6,9-trimethyl-3-(6-nitrohex-2-ynyl)-6a,7,10,10a-tetrahydrobenzo[c]chromen-1-ol Formula: C22H27NO4 MolecularWeight: 369.45408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC2C(C1)C3=C(C=C(C=C3O)CC#CCCC[N+](=O)[O-])OC2(C)C

Isomeric SMILES

CC1=CCC2C(C1)C3=C(C=C(C=C3O)CC#CCCC[N+](=O)[O-])OC2(C)C

InChI

InChI=1S/C22H27NO4/c1-15-9-10-18-17(12-15)21-19(24)13-16(14-20(21)27-22(18,2)3)8-6-4-5-7-11-23(25)26/h9,13-14,17-18,24H,5,7-8,10-12H2,1-3H3