(6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 2-nitrobenzenesulfonate

Systemtic Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 2-nitrobenzenesulfonate Openeye Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c][1]benzopyran-1-yl) ester IUPAC Name: (6,6-dimethyl-3-pentyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid (3-amyl-6,6-dimethyl-6a,7,8,10a-tetrahydrobenzo[c]chromen-1-yl) ester Formula: C26H31NO6S MolecularWeight: 485.59244

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC2=C(C3C=CCCC3C(O2)(C)C)C(=C1)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=CC2=C(C3C=CCCC3C(O2)(C)C)C(=C1)OS(=O)(=O)C4=CC=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C26H31NO6S/c1-4-5-6-11-18-16-22-25(19-12-7-8-13-20(19)26(2,3)32-22)23(17-18)33-34(30,31)24-15-10-9-14-21(24)27(28)29/h7,9-10,12,14-17,19-20H,4-6,8,11,13H2,1-3H3