5-methyl-11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1]benzothiepine-2,9-disulfonic acid

Systemtic Name: 5-methyl-11,11-bis(oxidanylidene)-5,6-dihydrobenzo[b][1]benzothiepine-2,9-disulfonic acid Openeye Name: 5-methyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepine-2,9-disulfonic acid CAS Name: 5-methyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepin-2,9-disulfonic acid IUPAC Name: 5-methyl-11,11-dioxo-5,6-dihydrobenzo[b][1]benzothiepine-2,9-disulfonic acid Traditional Name: 11,11-diketo-5-methyl-5,6-dihydrobenzo[b][1]benzothiepin-2,9-disulfonic acid Formula: C15H14O8S3 MolecularWeight: 418.46186

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)C3=C1C=CC(=C3)S(=O)(=O)O

Isomeric SMILES

CC1CC2=C(C=C(C=C2)S(=O)(=O)O)S(=O)(=O)C3=C1C=CC(=C3)S(=O)(=O)O

InChI

InChI=1S/C15H14O8S3/c1-9-6-10-2-3-11(25(18,19)20)7-14(10)24(16,17)15-8-12(26(21,22)23)4-5-13(9)15/h2-5,7-9H,6H2,1H3,(H,18,19,20)(H,21,22,23)