(7S)-7-acetamido-1,2,3,9,9-pentamethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-olate

Systemtic Name: (7S)-7-acetamido-1,2,3,9,9-pentamethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-olate Openeye Name: (7S)-7-acetamido-1,2,3,9,9-pentamethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-olate CAS Name: (7S)-7-acetamido-1,2,3,9,9-pentamethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-olate IUPAC Name: (7S)-7-acetamido-1,2,3,9,9-pentamethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-olate Traditional Name: (7S)-7-acetamido-1,2,3,9,9-pentamethoxy-6,7-dihydro-5H-benzo[a]heptalen-10-olate Formula: C23H28NO7- MolecularWeight: 430.47092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1CCC2=CC(=C(C(=C2C3=CC=C(C(C=C13)(OC)OC)[O-])OC)OC)OC

Isomeric SMILES

CC(=O)N[C@H]1CCC2=CC(=C(C(=C2C3=CC=C(C(C=C13)(OC)OC)[O-])OC)OC)OC

InChI

InChI=1S/C23H29NO7/c1-13(25)24-17-9-7-14-11-18(27-2)21(28-3)22(29-4)20(14)15-8-10-19(26)23(30-5,31-6)12-16(15)17/h8,10-12,17,26H,7,9H2,1-6H3,(H,24,25)/p-1/t17-/m0/s1