sodium 8-azanyl-10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate

Systemtic Name: sodium 8-azanyl-10-chloranyl-1-methyl-5,5-bis(oxidanylidene)-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Openeye Name: sodium 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate CAS Name: sodium 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepin-3-carboxylate IUPAC Name: sodium 8-amino-10-chloro-1-methyl-5,5-dioxo-6H-benzo[b][1,5]benzoxathiepine-3-carboxylate Traditional Name: sodium 8-amino-10-chloro-5,5-diketo-1-methyl-6H-benzo[b][1,5]benzoxathiepin-3-carboxylate Formula: C15H11ClNNaO5S MolecularWeight: 375.75931

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)C(=O)[O-])S(=O)(=O)CC3=CC(=CC(=C3O2)Cl)N.[Na+]

Isomeric SMILES

CC1=C2C(=CC(=C1)C(=O)[O-])S(=O)(=O)CC3=CC(=CC(=C3O2)Cl)N.[Na+]

InChI

InChI=1S/C15H12ClNO5S.Na/c1-7-2-8(15(18)19)4-12-13(7)22-14-9(6-23(12,20)21)3-10(17)5-11(14)16;/h2-5H,6,17H2,1H3,(H,18,19);/q;+1/p-1