2-[(1-azanyl-4-sulfo-1,4,4a,8a-tetrahydronaphthalen-2-yl)diazenyl]-3-iodanyl-benzoic acid

Systemtic Name: 2-[(1-azanyl-4-sulfo-1,4,4a,8a-tetrahydronaphthalen-2-yl)diazenyl]-3-iodanyl-benzoic acid Openeye Name: 2-[(1-amino-4-sulfo-1,4,4a,8a-tetrahydronaphthalen-2-yl)azo]-3-iodo-benzoic acid CAS Name: 2-[(1-amino-4-sulfo-1,4,4a,8a-tetrahydronaphthalen-2-yl)azo]-3-iodobenzoic acid IUPAC Name: 2-[(1-amino-4-sulfo-1,4,4a,8a-tetrahydronaphthalen-2-yl)diazenyl]-3-iodobenzoic acid Traditional Name: 2-[(1-amino-4-sulfo-1,4,4a,8a-tetrahydronaphthalen-2-yl)azo]-3-iodo-benzoic acid Formula: C17H16IN3O5S MolecularWeight: 501.29551

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2C(C=C1)C(C(=CC2S(=O)(=O)O)N=NC3=C(C=CC=C3I)C(=O)O)N

Isomeric SMILES

C1=CC2C(C=C1)C(C(=CC2S(=O)(=O)O)N=NC3=C(C=CC=C3I)C(=O)O)N

InChI

InChI=1S/C17H16IN3O5S/c18-12-7-3-6-11(17(22)23)16(12)21-20-13-8-14(27(24,25)26)9-4-1-2-5-10(9)15(13)19/h1-10,14-15H,19H2,(H,22,23)(H,24,25,26)