7-(2-carboxyphenyl)sulfanyl-8,13-bis(oxidanylidene)-14H-naphtho[2,3-a]phenothiazine-2-carboxylic acid

Systemtic Name: 7-(2-carboxyphenyl)sulfanyl-8,13-bis(oxidanylidene)-14H-naphtho[2,3-a]phenothiazine-2-carboxylic acid Openeye Name: 7-(2-carboxyphenyl)sulfanyl-8,13-dioxo-14H-naphtho[2,3-a]phenothiazine-2-carboxylic acid CAS Name: 7-[(2-carboxyphenyl)thio]-8,13-dioxo-14H-naphtho[2,3-a]phenothiazine-2-carboxylic acid IUPAC Name: 7-(2-carboxyphenyl)sulfanyl-8,13-dioxo-14H-naphtho[2,3-a]phenothiazine-2-carboxylic acid Traditional Name: 7-[(2-carboxyphenyl)thio]-8,13-diketo-14H-naphtho[2,3-a]phenothiazine-2-carboxylic acid Formula: C28H15NO6S2 MolecularWeight: 525.5518

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C=C4C(=C3C2=O)NC5=C(S4)C=CC(=C5)C(=O)O)SC6=CC=CC=C6C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C=C4C(=C3C2=O)NC5=C(S4)C=CC(=C5)C(=O)O)SC6=CC=CC=C6C(=O)O

InChI

InChI=1S/C28H15NO6S2/c30-25-14-5-1-2-6-15(14)26(31)23-22(25)20(36-18-8-4-3-7-16(18)28(34)35)12-21-24(23)29-17-11-13(27(32)33)9-10-19(17)37-21/h1-12,29H,(H,32,33)(H,34,35)