5-azanyl-8-[[6-sulfo-4-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid

Systemtic Name: 5-azanyl-8-[[6-sulfo-4-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid Openeye Name: 5-amino-8-[[6-sulfo-4-[(4-sulfo-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-2-sulfonic acid CAS Name: 5-amino-8-[[6-sulfo-4-[(4-sulfo-1-naphthalenyl)azo]-1-naphthalenyl]azo]-2-naphthalenesulfonic acid IUPAC Name: 5-amino-8-[[6-sulfo-4-[(4-sulfonaphthalen-1-yl)diazenyl]naphthalen-1-yl]diazenyl]naphthalene-2-sulfonic acid Traditional Name: 5-amino-8-[[6-sulfo-4-[(4-sulfo-1-naphthyl)azo]-1-naphthyl]azo]naphthalene-2-sulfonic acid Formula: C30H21N5O9S3 MolecularWeight: 691.71084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=CC=C2S(=O)(=O)O)N=NC3=C4C=C(C=CC4=C(C=C3)N=NC5=C6C=C(C=CC6=C(C=C5)N)S(=O)(=O)O)S(=O)(=O)O

InChI

InChI=1S/C30H21N5O9S3/c31-25-9-10-28(23-15-17(45(36,37)38)5-7-19(23)25)34-32-26-11-12-29(24-16-18(46(39,40)41)6-8-21(24)26)35-33-27-13-14-30(47(42,43)44)22-4-2-1-3-20(22)27/h1-16H,31H2,(H,36,37,38)(H,39,40,41)(H,42,43,44)