(9,10-dibutoxyanthracen-2-yl)methyl 4-nitrobenzenesulfonate

Systemtic Name: (9,10-dibutoxyanthracen-2-yl)methyl 4-nitrobenzenesulfonate Openeye Name: (9,10-dibutoxy-2-anthryl)methyl 4-nitrobenzenesulfonate CAS Name: 4-nitrobenzenesulfonic acid (9,10-dibutoxy-2-anthracenyl)methyl ester IUPAC Name: (9,10-dibutoxyanthracen-2-yl)methyl 4-nitrobenzenesulfonate Traditional Name: 4-nitrobenzenesulfonic acid (9,10-dibutoxy-2-anthryl)methyl ester Formula: C29H31NO7S MolecularWeight: 537.62394

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCCC)COS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=C2C=CC(=CC2=C(C3=CC=CC=C31)OCCCC)COS(=O)(=O)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C29H31NO7S/c1-3-5-17-35-28-24-9-7-8-10-25(24)29(36-18-6-4-2)27-19-21(11-16-26(27)28)20-37-38(33,34)23-14-12-22(13-15-23)30(31)32/h7-16,19H,3-6,17-18,20H2,1-2H3