[3-ethanoyl-6,11-bis(oxidanylidene)-1,2,3,4-tetrahydrotetracen-5-yl] 4-methylbenzenesulfonate

Systemtic Name: [3-ethanoyl-6,11-bis(oxidanylidene)-1,2,3,4-tetrahydrotetracen-5-yl] 4-methylbenzenesulfonate Openeye Name: (3-acetyl-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (3-acetyl-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) ester IUPAC Name: (3-acetyl-6,11-dioxo-1,2,3,4-tetrahydrotetracen-5-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (3-acetyl-6,11-diketo-1,2,3,4-tetrahydrotetracen-5-yl) ester Formula: C27H22O6S MolecularWeight: 474.52498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC4=C2CC(CC4)C(=O)C)C(=O)C5=CC=CC=C5C3=O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C3C(=CC4=C2CC(CC4)C(=O)C)C(=O)C5=CC=CC=C5C3=O

InChI

InChI=1S/C27H22O6S/c1-15-7-11-19(12-8-15)34(31,32)33-27-22-13-17(16(2)28)9-10-18(22)14-23-24(27)26(30)21-6-4-3-5-20(21)25(23)29/h3-8,11-12,14,17H,9-10,13H2,1-2H3