[4,5-dihexoxy-9,10-bis(oxidanylidene)anthracen-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [4,5-dihexoxy-9,10-bis(oxidanylidene)anthracen-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: (4,5-dihexoxy-9,10-dioxo-2-anthryl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4,5-dihexoxy-9,10-dioxo-2-anthracenyl)methyl ester IUPAC Name: (4,5-dihexoxy-9,10-dioxoanthracen-2-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4,5-dihexoxy-9,10-diketo-2-anthryl)methyl ester Formula: C34H40O7S MolecularWeight: 592.7422

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)COS(=O)(=O)C4=CC=C(C=C4)C)OCCCCCC

Isomeric SMILES

CCCCCCOC1=CC=CC2=C1C(=O)C3=C(C=C(C=C3C2=O)COS(=O)(=O)C4=CC=C(C=C4)C)OCCCCCC

InChI

InChI=1S/C34H40O7S/c1-4-6-8-10-19-39-29-14-12-13-27-31(29)34(36)32-28(33(27)35)21-25(22-30(32)40-20-11-9-7-5-2)23-41-42(37,38)26-17-15-24(3)16-18-26/h12-18,21-22H,4-11,19-20,23H2,1-3H3