(7-acetamido-1,2-dimethoxy-10-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 4-methylbenzenesulfonate

Systemtic Name: (7-acetamido-1,2-dimethoxy-10-oxidanyl-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 4-methylbenzenesulfonate Openeye Name: (7-acetamido-10-hydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-acetamido-10-hydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) ester IUPAC Name: (7-acetamido-10-hydroxy-1,2-dimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-3-yl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-acetamido-10-hydroxy-9-keto-1,2-dimethoxy-6,7-dihydro-5H-benzo[a]heptalen-3-yl) ester Formula: C27H27NO8S MolecularWeight: 525.57018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)CCC(C4=CC(=O)C(=CC=C43)O)NC(=O)C)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C(=C3C(=C2)CCC(C4=CC(=O)C(=CC=C43)O)NC(=O)C)OC)OC

InChI

InChI=1S/C27H27NO8S/c1-15-5-8-18(9-6-15)37(32,33)36-24-13-17-7-11-21(28-16(2)29)20-14-23(31)22(30)12-10-19(20)25(17)27(35-4)26(24)34-3/h5-6,8-10,12-14,21H,7,11H2,1-4H3,(H,28,29)(H,30,31)