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

Systemtic Name: [(7S)-7-acetamido-1,2,3-trimethoxy-9-oxidanylidene-6,7-dihydro-5H-benzo[a]heptalen-10-yl] 4-methylbenzenesulfonate Openeye Name: [(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl] ester IUPAC Name: [(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(7S)-7-acetamido-9-keto-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-yl] ester Formula: C28H29NO8S MolecularWeight: 539.59676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C3C(=CC2=O)C(CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=C3C(=CC2=O)[C@H](CCC4=CC(=C(C(=C43)OC)OC)OC)NC(=O)C

InChI

InChI=1S/C28H29NO8S/c1-16-6-9-19(10-7-16)38(32,33)37-24-13-11-20-21(15-23(24)31)22(29-17(2)30)12-8-18-14-25(34-3)27(35-4)28(36-5)26(18)20/h6-7,9-11,13-15,22H,8,12H2,1-5H3,(H,29,30)/t22-/m0/s1