4-(2-chloranylphenothiazin-10-yl)butane-1-sulfonic acid

Systemtic Name: 4-(2-chloranylphenothiazin-10-yl)butane-1-sulfonic acid Openeye Name: 4-(2-chlorophenothiazin-10-yl)butane-1-sulfonic acid CAS Name: 4-(2-chloro-10-phenothiazinyl)-1-butanesulfonic acid IUPAC Name: 4-(2-chlorophenothiazin-10-yl)butane-1-sulfonic acid Traditional Name: 4-(2-chlorophenothiazin-10-yl)butane-1-sulfonic acid Formula: C16H16ClNO3S2 MolecularWeight: 369.88614

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=C(S2)C=CC(=C3)Cl)CCCCS(=O)(=O)O

InChI

InChI=1S/C16H16ClNO3S2/c17-12-7-8-16-14(11-12)18(9-3-4-10-23(19,20)21)13-5-1-2-6-15(13)22-16/h1-2,5-8,11H,3-4,9-10H2,(H,19,20,21)