4-phenothiazin-10-ylbutane-1-sulfonic acid

Systemtic Name: 4-phenothiazin-10-ylbutane-1-sulfonic acid Openeye Name: 4-phenothiazin-10-ylbutane-1-sulfonic acid CAS Name: 4-(10-phenothiazinyl)-1-butanesulfonic acid IUPAC Name: 4-phenothiazin-10-ylbutane-1-sulfonic acid Traditional Name: 4-phenothiazin-10-ylbutane-1-sulfonic acid Formula: C16H17NO3S2 MolecularWeight: 335.44108

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCCS(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)CCCCS(=O)(=O)O

InChI

InChI=1S/C16H17NO3S2/c18-22(19,20)12-6-5-11-17-13-7-1-3-9-15(13)21-16-10-4-2-8-14(16)17/h1-4,7-10H,5-6,11-12H2,(H,18,19,20)