[7-chloranyl-2-ethanoyl-3,6,8-trimethoxy-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate

Systemtic Name: [7-chloranyl-2-ethanoyl-3,6,8-trimethoxy-9,10-bis(oxidanylidene)anthracen-1-yl] 4-methylbenzenesulfonate Openeye Name: (2-acetyl-7-chloro-3,6,8-trimethoxy-9,10-dioxo-1-anthryl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (2-acetyl-7-chloro-3,6,8-trimethoxy-9,10-dioxo-1-anthracenyl) ester IUPAC Name: (2-acetyl-7-chloro-3,6,8-trimethoxy-9,10-dioxoanthracen-1-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (2-acetyl-7-chloro-9,10-diketo-3,6,8-trimethoxy-1-anthryl) ester Formula: C26H21ClO9S MolecularWeight: 544.95754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)C)OC)C(=O)C4=CC(=C(C(=C4C3=O)OC)Cl)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC(=C2C(=O)C)OC)C(=O)C4=CC(=C(C(=C4C3=O)OC)Cl)OC

InChI

InChI=1S/C26H21ClO9S/c1-12-6-8-14(9-7-12)37(31,32)36-25-19(13(2)28)17(33-3)10-15-20(25)24(30)21-16(23(15)29)11-18(34-4)22(27)26(21)35-5/h6-11H,1-5H3